SCHEMBL20778649

SCHEMBL20778649

COc1ccc(CN(C(=O)NCc2ccc(OCC(C)C)cc2)C2CCNCC2)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 18/20 0.69
▸ SLC6A2 P23975 3/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ ADRB2 P07550 1/20 0.54
▸ CHRM2 P08172 1/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ DRD1 P21728 1/20 0.54
▸ TBXA2R P21731 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ GPR183 P32249 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ APLNR P35414 1/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ CX3CR1 P49238 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ GPR65 Q8IYL9 1/20 0.54

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
SCHEMBL20766242 0.89 HTR2A (0.70) HTR2ASLC6A2ABCB11CYP1A2ADRB2
SCHEMBL30523620 0.84 HTR2A (0.69) HTR2ASLC6A2ABCB11CYP1A2ADRB2
SCHEMBL20766355 0.84 HTR2A (0.69) HTR2ASLC6A2ABCB11CYP1A2ADRB2
SCHEMBL20766269 0.84 HTR2A (0.80) HTR2ASLC6A2ABCB11CYP1A2ADRB2
SCHEMBL20778635 0.83 HTR2A (0.78) HTR2ASLC6A2ABCB11CYP1A2ADRB2
SCHEMBL20766393 0.83 HTR2A (0.72) HTR2ASLC6A2ABCB11CYP1A2ADRB2
SCHEMBL6203023 0.82 HTR2A (1.00) HTR2ASLC6A2ABCB11CYP1A2ADRB2
SCHEMBL3946052 0.82 HTR2A (1.00) HTR2ASLC6A2ABCB11CYP1A2ADRB2
SCHEMBL20778700 0.82 HTR2A (0.77) HTR2ASLC6A2ABCB11CYP1A2ADRB2
SCHEMBL20766206 0.82 HTR2A (0.67) HTR2ASLC6A2ABCB11CYP1A2ADRB2

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-2019040107-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 — — WO disclosed
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