SCHEMBL20715696

SCHEMBL20715696

Fc1cncc(Cn2c(N3CCC(Cc4ccc5c(c4)nc(N4CCCCC4)n5Cc4cccc(OC(F)(F)F)c4)CC3)nc3ccccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 15/20 0.43
CYP2D6 P10635 14/20 0.43
CHRM1 P11229 5/20 0.43
KCNH2 Q12809 7/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
CYP3A4 P08684 1/20 0.41
HTR3A P46098 2/20 0.40
ALOX5AP P20292 1/20 0.39

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
SCHEMBL20715420 0.82 HTR3A (0.52) HRH1CYP2D6CHRM1KCNH2HTR3A
SCHEMBL20715421 0.82 HTR3A (0.53) HRH1CYP2D6CHRM1KCNH2HTR3A
SCHEMBL22726492 0.77 MCHR1 (0.50) HRH1CYP2D6CHRM1KCNH2HTR3A
SCHEMBL20715426 0.73 HRH1 (0.58) HRH1CYP2D6CHRM1KCNH2CYP3A4
SCHEMBL4422612 0.72 SOS1 (0.58) HRH1CYP2D6CHRM1KCNH2CYP3A4
SCHEMBL4443670 0.71 SOS1 (0.52) HRH1CYP2D6CHRM1KCNH2HTR3A
SCHEMBL20919806 0.68 HRH1 (0.54) HRH1CYP2D6CHRM1KCNH2HTR3A
SCHEMBL20919807 0.68 HRH1 (0.54) HRH1CYP2D6CHRM1KCNH2HTR3A
SCHEMBL20715424 0.67 HRH1 (0.60) HRH1CYP2D6CHRM1KCNH2HTR3A
SCHEMBL31633134 0.67 HRH1 (0.57) HRH1CYP2D6CHRM1KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019028308-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-02-07 WO disclosed