SCHEMBL7282191

SCHEMBL7282191

CC(=O)NCCN1C(=O)[C@H](CC(=O)O)C[C@H]1COc1ccc(-c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.54
ITGA2B P08514 14/20 0.54
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
TMPRSS15 P98073 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
Hydrochloric Acid SCHEMBL8883084 0.91 ITGB3 (0.44) ITGB3ITGA2BUSP2ALOX15TSHR
SCHEMBL7274671 0.90 ITGB3 (0.52) ITGB3ITGA2BF10PRSS1TMPRSS15
SCHEMBL7283439 0.88 ITGB3 (0.52) ITGB3ITGA2BF10
SCHEMBL7275930 0.87 ITGB3 (0.59) ITGB3ITGA2BPRSS1
SCHEMBL7272750 0.87 ITGB3 (0.59) ITGB3ITGA2BALOX15PRSS1
SCHEMBL7275114 0.87 ITGB3 (0.61) ITGB3ITGA2BPRSS1
SCHEMBL7275215 0.86 ITGB3 (0.56) ITGB3ITGA2BPRSS1
SCHEMBL7283093 0.86 ITGB3 (0.54) ITGB3ITGA2BF10PRSS1
SCHEMBL7273000 0.85 ITGB3 (0.53) ITGB3ITGA2BALOX15PRSS1
SCHEMBL7280353 0.85 ITGB3 (0.53) ITGB3ITGA2BPRSS1TMPRSS15

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