SCHEMBL7398346

SCHEMBL7398346

CCOC(=O)C(CC)Oc1ccc(N2CCN(c3ccncc3)CC2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
AR P10275 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
GRM5 P41594 1/20 0.41
HRH3 Q9Y5N1 4/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
SPHK1 Q9NYA1 2/20 0.38
METAP1 P53582 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL7395114 0.91 SMN1; SMN2 (0.55) SMN1; SMN2ITGB3ITGA2BGRM5HRH3
SCHEMBL7334455 0.89 ITGB3 (0.51) SMN1; SMN2ARITGB3ITGA2BHRH3
SCHEMBL7403375 0.85 AOC3 (0.48) ARITGB3ITGA2BHRH3GAA
SCHEMBL7401164 0.84 HRH3 (0.42) ARITGB3ITGA2BHRH3GAA
SCHEMBL7336053 0.80 ITGB3 (0.40) ITGB3ITGA2BGRM5HRH3GAA
SCHEMBL7393253 0.79 ITGB3 (0.56) SMN1; SMN2ITGB3ITGA2BHRH3GAA
SCHEMBL7398338 0.79 BRD4 (0.49) ITGB3ITGA2BHRH3METAP1MAPT
SCHEMBL7401777 0.78 PPARG (0.45) SMN1; SMN2ITGB3ITGA2BHRH3MEN1
SCHEMBL7402995 0.78 NPY2R (0.43) ITGB3ITGA2BHRH3GAAMEN1
SCHEMBL7397030 0.77 AOC3 (0.47) ITGB3ITGA2BHRH3GAAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825184-B1 Heterocyclic derivatives as platelet aggregation inhibitors ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
CN-1120334-A Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LTD (GB) 1996-04-10 CN disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed