SCHEMBL7350699

SCHEMBL7350699

C=C[C@@H](N)CC(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 7/20 0.40
TRPA1 O75762 1/20 0.40
TSHR P16473 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
BLM P54132 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 3/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 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
SCHEMBL3861410 1.00 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL6160515 0.98 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL7406989 0.98 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL19443221 0.85 TSHR (0.37) ALDH1A1TSHRCYP2D6CYP2C19SLC6A2
Hydrochloric Acid SCHEMBL27346768 0.84 SOAT1 (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2305983 0.82 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12306313 0.81 KMT2A (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27985995 0.80 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL18103791 0.80 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL23896365 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707142-B1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-12-08 EP disclosed
EP-3538528-B1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-23 EP disclosed
WO-2018089360-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
EP-0542708-B1 Substituted beta-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2001-05-30 EP disclosed
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed
CN-1054842-C Platelet aggregation inhibitors SEARLE & CO (US) 2000-07-26 CN disclosed
US-5973003-A TREATMENT OF THROMBOSIS, STROKE, MYOCARDIAL INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS G. D. SEARLE & CO. (US) 1999-10-26 US disclosed
US-5721366-A PHENYLAMIDINE DERIVATIVES G. D. SEARLE & CO (US) 1998-02-24 US disclosed
US-5703125-A MELT BLEND OF SOAP, SURFACTANT AND SOLVENT G. D. SEARLE & CO. (US) 1997-12-30 US disclosed
EP-0614360-B1 SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-03-19 EP disclosed
CN-1124957-A 1-amidinophenyl-pyrrolidones piperidinones azetinones as platelet aggregation inhibitors SEARLE & CO (US) 1996-06-19 CN disclosed
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP disclosed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed
EP-0614360-A1 SUBSTITUTED -g(b)-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1994-09-14 EP disclosed
US-5344837-A Platelet aggregation inhibitors G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
US-5344957-A Amidinoiphenyl-substituted G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
WO-1994001396-A1 PHENYL AMIDINE UREA DERIVATIVES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-20 WO disclosed
US-5272162-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-12-21 US disclosed
EP-0542708-A1 Substituted B-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-05-19 EP disclosed
WO-1993007867-A1 SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed