SCHEMBL3120801

SCHEMBL3120801

c1ccc2oc(C3CC[N]CC3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.55
HTR2B P41595 1/20 0.50
THRB P10828 2/20 0.47
USP2 O75604 1/20 0.47
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45
TP53 P04637 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL26862272 0.89 LMNA (0.60) LMNAHTR2BTHRBUSP2EPHX1
SCHEMBL4457699 0.86 RAB9A (0.59) LMNAHTR2BTHRBUSP2EPHX1
SCHEMBL14895871 0.86 LMNA (0.57) LMNAHTR2BTHRBUSP2EPHX1
SCHEMBL1128181 0.84 RAB9A (0.62) LMNAHTR2BTHRBUSP2EPHX1
SCHEMBL3196725 0.81 LMNA (0.53) LMNAHTR2BTHRBUSP2EPHX1
SCHEMBL26295449 0.81 LMNA (0.53) LMNAHTR2BTHRBUSP2TP53
SCHEMBL3196713 0.81 LMNA (0.53) LMNAHTR2BTHRBUSP2EPHX1
SCHEMBL373400 0.81 MPO (0.54) LMNAHTR2BTHRBUSP2EPHX1
SCHEMBL13810503 0.79 LMNA (0.61) LMNAHTR2BTHRBUSP2TP53
SCHEMBL21361595 0.79 LMNA (0.61) LMNAHTR2BTHRBUSP2EPHX1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
EP-0791592-B1 Azetidines PFIZER LTD (GB) 2003-05-21 EP claimed
EP-0775132-B1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2001-03-28 EP claimed
US-5968923-A ANTIINFLAMMATORY AGENTS, TREATMENT OF NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS PFIZER INC. (US) 1999-10-19 US claimed
US-5741790-A Azetidines PFIZER INC. (US) 1998-04-21 US claimed
EP-0791592-A2 Azetidines Pfizer Limited (GB) 1997-08-27 EP claimed
EP-0775132-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 1997-05-28 EP claimed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0791592-B1 Azetidines PFIZER LTD (GB) 2003-05-21 EP disclosed
EP-0871623-B1 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS PFIZER RES & DEV (IE) 2003-02-12 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
EP-0871623-A1 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS Pfizer Research and Development Company, N.V./S.A. (IE) 1998-10-21 EP disclosed
US-5741790-A Azetidines PFIZER INC. (US) 1998-04-21 US disclosed
EP-0791592-A2 Azetidines Pfizer Limited (GB) 1997-08-27 EP disclosed
WO-1997025322-A1 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-07-17 WO disclosed
EP-0775132-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 1997-05-28 EP disclosed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 WO disclosed