SCHEMBL7401164

SCHEMBL7401164

CCOC(=O)C(CC)Oc1ccc(N2CCN(c3ccncc3)CC2)c(Cc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
HRH1 P35367 1/20 0.42
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
METAP1 P53582 2/20 0.39
AOC3 Q16853 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AR P10275 1/20 0.38
PRMT1 Q99873 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
F10 P00742 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL7392228 0.92 HRH3 (0.44) HRH3HRH1ITGB3ITGA2BAOC3
SCHEMBL7398346 0.84 SMN1; SMN2 (0.44) HRH3ITGB3ITGA2BMETAP1TSHR
SCHEMBL7325096 0.82 HRH3 (0.49) HRH3HRH1METAP1MAPT
SCHEMBL7334455 0.82 ITGB3 (0.51) HRH3ITGB3ITGA2BTSHRHSD17B10
SCHEMBL7403375 0.81 AOC3 (0.48) HRH3ITGB3ITGA2BAOC3TSHR
SCHEMBL7395114 0.78 SMN1; SMN2 (0.55) HRH3ITGB3ITGA2BTSHRHSD17B10
SCHEMBL7402995 0.77 NPY2R (0.43) HRH3ITGB3ITGA2BTSHRHSD17B10
SCHEMBL7392232 0.77 HRH3 (0.54) HRH3HRH1ITGB3ITGA2BMAPT
SCHEMBL7401777 0.76 PPARG (0.45) HRH3ITGB3ITGA2BTSHRHSD17B10
SCHEMBL27442363 0.73 HRH3 (0.49) HRH3HRH1

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 4 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 disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP 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