SCHEMBL8890427

SCHEMBL8890427

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.63
ITGA2B P08514 11/20 0.63
ITGAV P06756 1/20 0.49
CHRM2 P08172 1/20 0.49
SLC6A4 P31645 1/20 0.49
HRH3 Q9Y5N1 6/20 0.47
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 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 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9080299 0.92 ITGB3 (0.55) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL9081854 0.84 ITGB3 (0.51) ITGB3ITGA2BHRH3HRH2HRH1
SCHEMBL8603766 0.83 ITGB3 (0.64) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7400369 0.83 ITGB3 (0.67) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7398960 0.82 ITGB3 (0.71) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7395334 0.81 ITGB3 (0.57) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7395332 0.81 ITGB3 (0.57) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7400140 0.78 ITGB3 (0.57) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL28935731 0.78 ITGB3 (0.77) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL28935734 0.78 ITGB3 (0.77) 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-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