SCHEMBL7284272

SCHEMBL7284272

N=C(N)NC1Cc2ccc(CC(=O)NC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.37
ITGA2B P08514 8/20 0.37
MTNR1A P48039 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM7 Q14831 1/20 0.32
F2 P00734 4/20 0.32
PRSS1 P07477 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ITGAV P06756 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA5 P08648 1/20 0.31

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
SCHEMBL7274430 0.89 MTNR1A (0.35) ITGB3ITGA2BMTNR1AALDH1A1TSHR
Water SCHEMBL7273109 0.88 ITGB3 (0.41) ITGB3ITGA2BALDH1A1TSHRSMN1; SMN2
SCHEMBL7276603 0.88 TBXA2R (0.35) ITGB3ITGA2BMTNR1AALDH1A1TSHR
SCHEMBL7336889 0.87 SIGMAR1 (0.37) ITGB3ITGA2BMTNR1ASIGMAR1
SCHEMBL7276521 0.84 PNMT (0.38) ITGB3ITGA2BSMN1; SMN2
Water SCHEMBL7275052 0.82 ITGB3 (0.38) ITGB3ITGA2BMTNR1AITGAV
SCHEMBL7274241 0.81 SIGMAR1 (0.39) ITGB3ITGA2BMTNR1ASIGMAR1
SCHEMBL7276721 0.79 TRPV1 (0.43) ALDH1A1SMN1; SMN2F2ITGB1ITGA5
SCHEMBL7274533 0.79 TSHR (0.40) ITGB3ITGA2BMTNR1AALDH1A1TSHR
Water SCHEMBL7283102 0.79 ITGB3 (0.41) ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed