SCHEMBL7274101

SCHEMBL7274101

CC(C)(C)OC(=O)NCC1Cc2ccc(C(=O)NCC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.41
ITGA2B P08514 5/20 0.41
SIGMAR1 Q99720 3/20 0.40
CHRM4 P08173 1/20 0.40
ACACB O00763 2/20 0.38
ACACA Q13085 2/20 0.38
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
NAMPT P43490 4/20 0.35
ITGAV P06756 1/20 0.34

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
SCHEMBL7284329 0.94 ACACB (0.41) ITGB3ITGA2BSIGMAR1ACACBACACA
SCHEMBL7276437 0.87 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1CHRM4OPRM1
SCHEMBL7272746 0.87 ITGB3 (0.44) ITGB3ITGA2BCHRM4OPRM1OPRD1
SCHEMBL7286536 0.86 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1CHRM4NAMPT
SCHEMBL7271758 0.85 SIGMAR1 (0.38) ITGB3ITGA2BSIGMAR1ACACBACACA
SCHEMBL7276136 0.84 SIGMAR1 (0.40) SIGMAR1ACACBACACAOPRM1NAMPT
SCHEMBL7275338 0.84 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1CHRM4NAMPT
SCHEMBL7274241 0.84 SIGMAR1 (0.39) ITGB3ITGA2BSIGMAR1ACACBACACA
SCHEMBL7285724 0.84 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1CHRM4NAMPT
Water SCHEMBL7281582 0.82 ITGB3 (0.41) ITGB3ITGA2BCHRM4OPRM1OPRD1

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