SCHEMBL8636667

SCHEMBL8636667

CCCCS(=O)(=O)NC(Cc1ccc(C(=O)CN2CCN(c3ccncc3)CC2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.55
ITGA2B P08514 10/20 0.55
ITGAV P06756 1/20 0.44
CHRM2 P08172 1/20 0.44
SLC6A4 P31645 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
S1PR1 P21453 1/20 0.40
POLB P06746 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ITGA4 P13612 1/20 0.38
GAA P10253 1/20 0.38
KDM4A O75164 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
SCHEMBL7400250 0.91 ITGB3 (0.49) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7393627 0.84 HRH3 (0.47) ITGB3ITGA2BSLC6A4HRH3S1PR1
SCHEMBL7400469 0.82 TBXA2R (0.45) ITGB3ITGA2BSLC6A4HRH3S1PR1
SCHEMBL7398399 0.81 LMNA (0.51) ITGB3ITGA2BHRH3POLBSPHK1
SCHEMBL7400140 0.81 ITGB3 (0.57) ITGB3ITGA2BITGAVCHRM2SLC6A4
Hydrochloric Acid SCHEMBL9409375 0.79 ITGB3 (0.62) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7395334 0.79 ITGB3 (0.57) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7403455 0.79 ITGB3 (0.60) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7395332 0.79 ITGB3 (0.57) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8603766 0.78 ITGB3 (0.64) ITGB3ITGA2BITGAVCHRM2SLC6A4

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-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed