SCHEMBL7400372

SCHEMBL7400372

O=C(O)CCCCOc1cccc(N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
HRH3 Q9Y5N1 6/20 0.52
ITGB3 P05106 8/20 0.51
ITGA2B P08514 8/20 0.51
HRH1 P35367 2/20 0.51
HRH2 P25021 1/20 0.51
AOC3 Q16853 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL7398027 0.96 MAPT (0.56) SMN1; SMN2NPC1MAPTRAB9AHRH3
SCHEMBL8890373 0.87 ITGB3 (0.60) HRH3ITGB3ITGA2BHRH1HRH2
SCHEMBL7397026 0.85 FAAH (0.51) SMN1; SMN2NPC1MAPTRAB9AHRH3
SCHEMBL7334548 0.83 ITGB3 (0.62) SMN1; SMN2NPC1MAPTRAB9AHRH3
SCHEMBL7403373 0.81 FAAH (0.54) SMN1; SMN2NPC1MAPTRAB9AHRH3
SCHEMBL7395116 0.79 HRH3 (0.50) HRH3ITGB3ITGA2BHRH1HRH2
SCHEMBL7401781 0.79 HRH3 (0.51) SMN1; SMN2NPC1MAPTRAB9AHRH3
SCHEMBL8634727 0.79 HRH3 (0.55) SMN1; SMN2NPC1MAPTRAB9AHRH3
SCHEMBL7392232 0.77 HRH3 (0.54) SMN1; SMN2NPC1MAPTRAB9AHRH3
SCHEMBL7400703 0.76 KDM4E (0.49) SMN1; SMN2NPC1MAPTRAB9AHRH3

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