SCHEMBL7283333

SCHEMBL7283333

N=C(N)c1ccc(-c2ccc(CCN3CCC(CC(=O)O)C3=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.49
ITGA2B P08514 19/20 0.49
ITGAV P06756 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41

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 SCHEMBL7274247 0.86 ITGB3 (0.42) ITGB3ITGA2BHRH3
SCHEMBL7275015 0.82 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL8407585 0.77 CHRNB2 (0.49) ITGB3ITGA2BHRH3
SCHEMBL7274780 0.77 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL8410297 0.76 ITGB3 (0.52) ITGB3ITGA2BHRH3
SCHEMBL8557864 0.75 ITGB3 (0.49) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7276212 0.74 ITGB3 (0.41) ITGB3ITGA2BHRH3
SCHEMBL2565333 0.73 ACE (0.49) ITGB3ITGA2B
SCHEMBL8410474 0.73 HTR2A (0.53) ITGB3ITGA2BHRH3
SCHEMBL8410661 0.72 SLC6A1 (0.48) ITGB3ITGA2BHRH3

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