SCHEMBL1683172

SCHEMBL1683172

[CH2]C(O)C(N)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
SLC15A1 P46059 1/20 0.51
SLC6A2 P23975 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
CSNK1E P49674 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
LAP3 P28838 4/20 0.47
ANPEP P15144 3/20 0.47
CYP2D6 P10635 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2845167 1.00 EPHX1 (0.54) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL9625571 1.00 EPHX1 (0.54) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL9627376 1.00 EPHX1 (0.54) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL9819869 1.00 EPHX1 (0.54) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL6445044 0.82 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL6356479 0.82 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL6929688 0.82 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL7190709 0.82 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL22431194 0.82 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA
SCHEMBL9740410 0.82 EPHX1 (0.58) EPHX1SLC15A1SLC6A2TAAR1MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100366605-C Compounds to treat alzheimer's disease ELAN PHARM INC (US) 2008-02-06 CN claimed
CN-1447789-A Compounds for treating alzheimer's disease ELAN PHARM INC (US) 2003-10-08 CN claimed
EP-0296059-B1 TRIPEPTIDES WITH A POLYCYCLIC NITROGEN STRUSTURE, THEIR PROCESS OF PREPARATION AND THE PHARMACEUTICAL COMPOSITIONS THEREOF ADIR ET COMPAGNIE (FR) 1992-03-18 EP claimed
CN-101878210-B Amide compounds as boosters of antivirals TIBOTEC PHARM LTD 2013-07-17 CN disclosed
CN-101868457-B (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy COMENTIS INC 2013-02-13 CN disclosed
EP-2477992-A2 PROCESSES FOR THE PREPARATION OF DARUNAVIR AND THE AMORPHOUS FORM THEREOF MYLAN LABORATORIES LIMITED (IN) 2012-07-25 EP disclosed
WO-2011048604-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF DARUNAVIR MATRIX LABORATORIES LIMITED (IN) 2011-04-28 WO disclosed
CN-101878210-A Amide compound as boosters TIBOTEC PHARM LTD 2010-11-03 CN disclosed
CN-101868457-A (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy COMENTIS INC 2010-10-20 CN disclosed
CN-101821238-A Suppress the active isophthaloyl sulfonamide derivatives of beta-secretase (BETA-SECRETASE) COMENTIS INC 2010-09-01 CN disclosed
EP-1222192-B8 HEXAHYDROFURO¬2,3-B FURAN-3-YL-N- 3-¬(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO -1-BENZYL-2-HYDROXYPROPYL CARBAMATE AS RETROVIRAL PROTEASE INHIBITOR TIBOTEC PHARM LTD (IE) 2008-10-01 EP disclosed
CN-1090612-C Amine derivatives of oxo-and hydroxy-substituted hydrocarbons NARHEX LTD (HK) 2002-09-11 CN disclosed
EP-1222192-A1 HEXAHYDROFURO[2,3-B]FURAN-3-YL-N- 3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL CARBAMATE AS RETROVIRAL PROTEASE INHIBITOR Tibotec Pharmaceuticals Ltd. (IE) 2002-07-17 EP disclosed
WO-2001025240-A1 HEXAHYDROFURO'2,3-B!FURAN-3-YL-N- {3'(1,3-BENZODIOXOL -5- YLSULFONYL) (ISOBUTYL) AMINO! -1-BENZYL-2-HYDROXYPROPYL} CARBAMATE AS RETROVIRAL PROTEASE INHIBITOR TIBOTEC PHARMACEUTICALS LTD. (IE) 2001-04-12 WO disclosed
US-5776933-A Method of inhibiting protease E. R. SQUIBB & SONS, INC. (US) 1998-07-07 US disclosed
US-5760036-A ENZYME INHIBITORS OF RETROVIRAL PROTEASE FOR PREVENTION OF AIDS E. R. SQUIBB & SONS, INC. (US) 1998-06-02 US disclosed
CN-1100090-A amine derivatives of oxo-and hydroxy-substituted hydrocarbons NARHEX LTD (HK) 1995-03-15 CN disclosed
CN-1085546-A Aminediol protease inhibitors SQUIBB & SONS INC (US) 1994-04-20 CN disclosed