SCHEMBL9376971

SCHEMBL9376971

COc1ccc(Cn2c(N3CCC(N(C)c4nccc(O)n4)CC3)nc3ccccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 19/20 0.72
▸ CYP2D6 P10635 16/20 0.72
▸ KCNH2 Q12809 11/20 0.72
▸ CHRM1 P11229 8/20 0.67
▸ HTR3A P46098 1/20 0.59
▸ ADRA2A P08913 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ PDE3A Q14432 1/20 0.56

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
Mizolastine SCHEMBL6273027 0.89 HRH1 (0.84) HRH1CYP2D6KCNH2CHRM1HTR3A
SCHEMBL10337963 0.88 HRH1 (0.67) HRH1CYP2D6KCNH2CHRM1HTR3A
SCHEMBL9371586 0.81 HRH1 (0.61) HRH1CYP2D6KCNH2CHRM1HTR3A
SCHEMBL18388464 0.79 HRH1 (0.78) HRH1CYP2D6KCNH2CHRM1HTR3A
SCHEMBL5225966 0.77 HRH1 (0.77) HRH1CYP2D6KCNH2CHRM1HTR3A
SCHEMBL12930743 0.76 HRH1 (0.69) HRH1CYP2D6KCNH2CHRM1ADRA2A
SCHEMBL12930701 0.76 HRH1 (0.71) HRH1CYP2D6KCNH2CHRM1HTR3A
SCHEMBL12930707 0.75 HRH1 (0.70) HRH1CYP2D6KCNH2CHRM1HTR3A
SCHEMBL20697482 0.75 HRH1 (0.70) HRH1CYP2D6KCNH2CHRM1ADRA2A
SCHEMBL12930734 0.75 HRH1 (0.70) HRH1CYP2D6KCNH2CHRM1HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0217700-B1 Benzimidazole derivatives, their preparation and their therapeutical use SYNTHELABO (FR) 1994-03-30 — — EP claimed
US-4820710-A ANTIALLERGENS, ANTIHISTAMINES, ANTIINFLAMMATORY AGENTS SYNTHELABO (FR) 1989-04-11 — — US claimed
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