SCHEMBL7274653

SCHEMBL7274653

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.40
ITGA2B P08514 13/20 0.40
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MDM2 Q00987 2/20 0.33
TP53 P04637 1/20 0.33
ITGAV P06756 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
PTGER4 P35408 1/20 0.32

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
SCHEMBL7274427 0.87 ITGB3 (0.35) ITGB3ITGA2BALDH1A1TSHRSMN1; SMN2
SCHEMBL7280923 0.84 ALDH1A1 (0.37) ITGB3ITGA2BALDH1A1TSHRSMN1; SMN2
SCHEMBL7275515 0.84 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2MDM2TP53
SCHEMBL7282388 0.84 ALDH1A1 (0.39) ITGB3ITGA2BALDH1A1TSHRSMN1; SMN2
SCHEMBL7284030 0.84 ALDH1A1 (0.39) ITGB3ITGA2BALDH1A1TSHRSMN1; SMN2
SCHEMBL7283562 0.83 ALDH1A1 (0.38) ITGB3ITGA2BALDH1A1TSHRSMN1; SMN2
SCHEMBL7275916 0.83 ALDH1A1 (0.36) ALDH1A1TSHRSMN1; SMN2MDM2TP53
SCHEMBL7282690 0.83 ALDH1A1 (0.36) ALDH1A1TSHRSMN1; SMN2MDM2TP53
SCHEMBL7274763 0.82 OPRM1 (0.40) ITGB3ITGA2BALDH1A1TSHRSMN1; SMN2
SCHEMBL7273436 0.81 ALDH1A1 (0.36) ALDH1A1TSHRSMN1; SMN2MDM2TP53

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