SCHEMBL7334455

SCHEMBL7334455

CCOC(=O)C(CC)Oc1ccc(N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HRH3 Q9Y5N1 5/20 0.45
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AR P10275 1/20 0.43
SPHK1 Q9NYA1 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7403375 0.89 AOC3 (0.48) ITGB3ITGA2BGAAALDH1A1MAPT
SCHEMBL7398346 0.89 SMN1; SMN2 (0.44) ITGB3ITGA2BGAAALDH1A1MAPT
SCHEMBL7393253 0.87 ITGB3 (0.56) ITGB3ITGA2BGAAALDH1A1HRH3
SCHEMBL7398343 0.85 ITGB3 (0.54) ITGB3ITGA2BGAAALDH1A1MAPT
SCHEMBL7401164 0.82 HRH3 (0.42) ITGB3ITGA2BGAAMAPTHRH3
SCHEMBL27442363 0.81 HRH3 (0.49) HRH3
SCHEMBL7397030 0.80 AOC3 (0.47) ITGB3ITGA2BGAAALDH1A1MAPT
SCHEMBL7395114 0.79 SMN1; SMN2 (0.55) ITGB3ITGA2BGAAALDH1A1HRH3
SCHEMBL7402670 0.78 ITGB3 (0.45) ITGB3ITGA2BGAAALDH1A1HRH3
SCHEMBL8633587 0.78 ITGB3 (0.45) ITGB3ITGA2BGAAALDH1A1MAPT

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 3 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 claimed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP claimed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO claimed