SCHEMBL7401781

SCHEMBL7401781

O=C(O)CCCOc1ccc(N2CCN(c3ccncc3)CC2)c(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.51
HRH1 P35367 6/20 0.49
HRH2 P25021 3/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FFAR4 Q5NUL3 2/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
FFAR1 O14842 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 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
SCHEMBL7332012 0.90 HRH3 (0.48) HRH3HRH1HRH2NPC1MAPT
SCHEMBL7330409 0.84 ITGB3 (0.46) HRH3HRH1HRH2ITGB3ITGA2B
SCHEMBL7395116 0.84 HRH3 (0.50) HRH3HRH1HRH2ITGB3ITGA2B
SCHEMBL7392232 0.84 HRH3 (0.54) HRH3HRH1HRH2NPC1MAPT
SCHEMBL7330413 0.83 ITGB3 (0.47) HRH3ITGB3ITGA2B
SCHEMBL7398027 0.82 MAPT (0.56) HRH3HRH1HRH2NPC1MAPT
SCHEMBL7334548 0.82 ITGB3 (0.62) HRH3HRH1HRH2NPC1MAPT
SCHEMBL9275998 0.79 SMN1; SMN2 (0.53) HRH3HRH1HRH2NPC1MAPT
SCHEMBL7400372 0.79 SMN1; SMN2 (0.52) HRH3HRH1HRH2NPC1MAPT
SCHEMBL7401777 0.78 PPARG (0.45) HRH3NPC1SMN1; SMN2ITGB3ITGA2B

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