SCHEMBL9080299

SCHEMBL9080299

CCCCS(=O)(=O)NC(CCOc1ccc(N2CCN(c3ccncc3)CC2)cc1)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.55
ITGA2B P08514 7/20 0.55
HRH3 Q9Y5N1 8/20 0.46
POLB P06746 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGAV P06756 1/20 0.42
CHRM2 P08172 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH1 P35367 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 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
SCHEMBL8890427 0.92 ITGB3 (0.63) ITGB3ITGA2BHRH3POLBMAPT
SCHEMBL9080305 0.84 ITGB3 (0.48) ITGB3ITGA2BHRH3SPHK1MAPT
SCHEMBL8604265 0.82 ITGB3 (0.56) ITGB3ITGA2BHRH3ITGAVCHRM2
SCHEMBL8603352 0.82 ITGB3 (0.58) ITGB3ITGA2BHRH3ITGAVCHRM2
SCHEMBL7404620 0.82 ITGB3 (0.62) ITGB3ITGA2BHRH3ITGAVCHRM2
SCHEMBL7402980 0.80 ITGB3 (0.50) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7402982 0.80 ITGB3 (0.50) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7400796 0.78 ITGB3 (0.51) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL9080518 0.77 ITGB3 (0.54) ITGB3ITGA2BHRH3HRH1ALDH1A1
SCHEMBL8603766 0.77 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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