SCHEMBL7276485

SCHEMBL7276485

N=C(N)c1ccc(CCCC(=O)C(N)[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.41
ITGA2B P08514 14/20 0.41
F2 P00734 5/20 0.40
ITGAV P06756 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7282203 0.87 SIGMAR1 (0.43) ITGB3ITGA2BALDH1A1TSHRSMN1; SMN2
SCHEMBL7275019 0.86 ITGB3 (0.40) ITGB3ITGA2BF2ITGAVALDH1A1
SCHEMBL7275947 0.86 ALDH1A1 (0.37) ALDH1A1TSHRSMN1; SMN2
SCHEMBL7280204 0.86 SIGMAR1 (0.39) ALDH1A1TSHRSMN1; SMN2
SCHEMBL7283910 0.86 SIGMAR1 (0.40) ALDH1A1TSHRSMN1; SMN2
SCHEMBL7272947 0.85 SIGMAR1 (0.40) F2ALDH1A1TSHRSMN1; SMN2
SCHEMBL7281748 0.85 SIGMAR1 (0.40) F2ALDH1A1TSHRSMN1; SMN2
SCHEMBL7281938 0.85 SIGMAR1 (0.40) F2ALDH1A1TSHRSMN1; SMN2
SCHEMBL7274763 0.85 OPRM1 (0.40) ITGB3ITGA2BF2ITGAVALDH1A1
SCHEMBL7276057 0.85 ITGB3 (0.42) ITGB3ITGA2BF2ITGAVALDH1A1

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