SCHEMBL7274856

SCHEMBL7274856

Cc1ccc(CN2C(=O)[C@H](CC(=O)O)C[C@H]2COc2ccc(-c3ccc(C(=N)N)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.55
ITGA2B P08514 8/20 0.55
CHEK2 O96017 4/20 0.39
F9 P00740 1/20 0.37
PARP10 Q53GL7 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
NQO2 P16083 1/20 0.35
SRC P12931 1/20 0.35
F2 P00734 1/20 0.35

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
SCHEMBL7283507 0.93 ITGB3 (0.55) ITGB3ITGA2BCHEK2NQO2F2
SCHEMBL7282834 0.93 ITGB3 (0.56) ITGB3ITGA2BF2
SCHEMBL7273393 0.91 ITGB3 (0.55) ITGB3ITGA2BNQO2F2
Water SCHEMBL8882277 0.91 ITGB3 (0.56) ITGB3ITGA2BCHEK2F2
Hydrochloric Acid SCHEMBL7275699 0.91 ITGB3 (0.44) ITGB3ITGA2BCHEK2F9PARP10
SCHEMBL7275930 0.86 ITGB3 (0.59) ITGB3ITGA2BF2
SCHEMBL7275114 0.86 ITGB3 (0.61) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7274865 0.85 ITGB3 (0.46) ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL7275664 0.84 ITGB3 (0.47) ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL7284546 0.84 ITGB3 (0.44) ITGB3ITGA2BCHEK2NQO2F2

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 3 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
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed