SCHEMBL8889660

SCHEMBL8889660

O=C(O)Cc1cc(C(=O)CN2CCN(c3ccncc3)CC2=O)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.43
ITGA2B P08514 6/20 0.43
KCNH2 Q12809 1/20 0.37
ITGAV P06756 1/20 0.36
ALPG P10696 4/20 0.34
ALPI P09923 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PLAA Q9Y263 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALPL P05186 3/20 0.33
PLOD2 O00469 2/20 0.33
PLOD3 O60568 2/20 0.33
PLOD1 Q02809 2/20 0.33

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 SCHEMBL9080581 0.99 ITGB3 (0.42) ITGB3ITGA2BKCNH2ITGAVALPG
SCHEMBL7335927 0.78 PTGDR2 (0.39) ITGB3ITGA2BKCNH2ITGAVHTT
SCHEMBL7335413 0.77 ITGB3 (0.52) ITGB3ITGA2BKCNH2HRH3
SCHEMBL7334526 0.77 ITGB3 (0.40) ITGB3ITGA2BKCNH2ITGAVLMNA
Hydrochloric Acid SCHEMBL7399509 0.76 ITGB3 (0.51) ITGB3ITGA2BKCNH2HRH3
SCHEMBL8639763 0.73 ITGB3 (0.43) ITGB3ITGA2BKCNH2SMN1; SMN2HRH3
SCHEMBL8602874 0.72 ITGB3 (0.44) ITGB3ITGA2BKCNH2LMNAMAPT
SCHEMBL7333641 0.71 HRH3 (0.47) ITGB3ITGA2BKCNH2LMNAMAPT
SCHEMBL7400454 0.69 HRH3 (0.48) ITGB3ITGA2BKCNH2MAPTHRH3
SCHEMBL9078246 0.68 ALDH1A1 (0.45) ITGB3ITGA2BMAPTMAPK1HRH3

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 1 patent. 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