SCHEMBL1025366

SCHEMBL1025366

O=C(O)O[C@H]1Cc2ccccc2CN1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.47
PNMT P11086 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1022496 1.00 PRCP (0.47) PRCPPNMTMEN1KMT2AFABP7
SCHEMBL1564243 1.00 PRCP (0.47) PRCPPNMTMEN1KMT2AFABP7
Hydrochloric Acid SCHEMBL8078996 0.98 PRCP (0.46) PRCPPNMTMEN1KMT2AFABP7
SCHEMBL9408124 0.90 GAA (0.48) PRCPPNMTMEN1KMT2AGAA
SCHEMBL6298781 0.85 PRCP (0.42) PRCPPNMTMEN1KMT2A
SCHEMBL27472422 0.85 PRCP (0.42) PRCPPNMTMEN1KMT2A
SCHEMBL6010092 0.82 PRCP (0.44) PRCPPNMTMEN1KMT2A
SCHEMBL6010348 0.82 PRCP (0.44) PRCPPNMTMEN1KMT2A
SCHEMBL13940779 0.82 MEN1 (0.44) PRCPPNMTMEN1KMT2A
SCHEMBL9548218 0.81 DRD2 (0.37)

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 EP claimed
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP claimed
EP-0751128-B2 Process for producing optically active amides AJINOMOTO KK (JP) 2005-08-31 EP claimed
EP-1104755-B1 Process for the preparation of (S)-N-tertbutyl-1,2,3,4- tetrahydroisoquinoline-3-carboxamide CLARIANT LSM ITALIA SPA (IT) 2004-10-06 EP claimed
EP-0902781-B1 PREPARATION OF (S)-DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID T-BUTYLAMIDE PCBU SERVICES INC (US) 2003-12-17 EP claimed
EP-1009749-B1 PREPARATION OF (S)-N-TERT-BUTYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYAMIDE CLARIANT LSM ITALIA SPA (IT) 2001-08-08 EP claimed
EP-0751128-B1 Process for producing optically active amides AJINOMOTO KK (JP) 1999-07-28 EP claimed
EP-1682513-B1 METHOD FOR PRODUCING CYCLIC, N-SUBSTITUTED ALPHA-IMINOCARBOXYLIC ACIDS SANOFI AVENTIS DEUTSCHLAND (DE) 2011-01-12 EP disclosed
EP-0432694-B1 Aminoalcohols HOFFMANN LA ROCHE (CH) 1996-05-29 EP disclosed
EP-0657419-A1 Alcohols F. HOFFMANN-LA ROCHE AG (CH) 1995-06-14 EP disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed
EP-0432694-A2 Aminoalcohols F. HOFFMANN-LA ROCHE AG (CH) 1991-06-19 EP disclosed