SCHEMBL3716523

SCHEMBL3716523

COc1cc(OCc2ccccc2)ccc1CNC(=O)N(Cc1ccc(F)cc1)C1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 19/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ HTR2C P28335 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ KCNH2 Q12809 2/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ ADRB2 P07550 1/20 0.59
▸ CHRM2 P08172 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ DRD1 P21728 1/20 0.59
▸ TBXA2R P21731 1/20 0.59
▸ SLC6A2 P23975 1/20 0.59
▸ GPR183 P32249 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ OPRM1 P35372 1/20 0.59
▸ APLNR P35414 1/20 0.59
▸ DRD3 P35462 1/20 0.59
▸ CX3CR1 P49238 1/20 0.59
▸ SLC6A3 Q01959 1/20 0.59
▸ GPR65 Q8IYL9 1/20 0.59

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
SCHEMBL3719838 0.94 HTR2A (0.59) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL20766507 0.89 HTR2A (0.71) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL30523657 0.89 HTR2A (0.71) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL13191517 0.89 HTR2A (0.61) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL13191082 0.87 HTR2A (0.59) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL13191099 0.84 HTR2A (0.65) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL13191482 0.84 HTR2A (0.61) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL22374103 0.81 HTR2A (0.63) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL20766354 0.80 HTR2A (0.81) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL30523618 0.80 HTR2A (0.81) HTR2ACYP1A2HTR2CCYP2C19KCNH2

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
WO-2010111353-A1 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2010-09-30 — — WO disclosed
WO-2010111353-A1 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2010-09-30 — — WO disclosed
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