SCHEMBL7274427

SCHEMBL7274427

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIGMAR1 Q99720 5/20 0.33
MDM2 Q00987 4/20 0.33
TP53 P04637 3/20 0.33
OPRK1 P41145 1/20 0.30

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
SCHEMBL7276601 0.92 ITGB3 (0.34) ITGB3ITGA2BALDH1A1TSHRSMN1; SMN2
SCHEMBL7274653 0.87 ITGB3 (0.40) ITGB3ITGA2BALDH1A1TSHRSMN1; SMN2
SCHEMBL7274430 0.81 MTNR1A (0.35) ITGB3ITGA2BALDH1A1TSHRSMN1; SMN2
SCHEMBL7282203 0.80 SIGMAR1 (0.43) ITGB3ITGA2BALDH1A1TSHRSMN1; SMN2
SCHEMBL7275947 0.79 ALDH1A1 (0.37) ALDH1A1TSHRSMN1; SMN2SIGMAR1MDM2
SCHEMBL7280204 0.79 SIGMAR1 (0.39) ALDH1A1TSHRSMN1; SMN2SIGMAR1
SCHEMBL7283910 0.79 SIGMAR1 (0.40) ALDH1A1TSHRSMN1; SMN2SIGMAR1
SCHEMBL7281938 0.78 SIGMAR1 (0.40) ALDH1A1TSHRSMN1; SMN2SIGMAR1
SCHEMBL7272947 0.78 SIGMAR1 (0.40) ALDH1A1TSHRSMN1; SMN2SIGMAR1
SCHEMBL7281748 0.78 SIGMAR1 (0.40) ALDH1A1TSHRSMN1; SMN2SIGMAR1

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