SCHEMBL9371586

SCHEMBL9371586

COc1ccc(Cn2c(N3CCC(CNc4nccc(O)n4)CC3)nc3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 11/20 0.61
▸ CYP2D6 P10635 10/20 0.61
▸ KCNH2 Q12809 8/20 0.61
▸ HTR3A P46098 2/20 0.59
▸ CHRM1 P11229 2/20 0.55
▸ GRIN2B Q13224 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ SSTR5 P35346 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6273031 0.89 HRH1 (0.59) HRH1CYP2D6KCNH2HTR3ACHRM1
SCHEMBL10337965 0.87 HTR3A (0.47) HRH1CYP2D6KCNH2HTR3ACHRM1
SCHEMBL9376971 0.81 HRH1 (0.72) HRH1CYP2D6KCNH2HTR3ACHRM1
SCHEMBL5225964 0.77 HRH1 (0.55) HRH1CYP2D6KCNH2HTR3ACHRM1
Mizolastine SCHEMBL6273027 0.70 HRH1 (0.84) HRH1CYP2D6KCNH2HTR3ACHRM1
SCHEMBL10337963 0.69 HRH1 (0.67) HRH1CYP2D6KCNH2HTR3ACHRM1
SCHEMBL15568527 0.69 HRH1 (0.66) HRH1CYP2D6KCNH2HTR3ACHRM1
SCHEMBL10337877 0.68 HRH1 (0.74) HRH1CYP2D6KCNH2HTR3ACHRM1
SCHEMBL15568620 0.67 HRH1 (0.63) HRH1CYP2D6KCNH2HTR3ACHRM1
SCHEMBL15963187 0.67 MAPT (0.64) HRH1CYP2D6KCNH2HTR3ACHRM1

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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