SCHEMBL20766142

SCHEMBL20766142

CC(C)COc1ccc(Cc2nnc(N(Cc3ccc(F)cc3)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.48
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.47
ADRB2 P07550 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2C P28335 1/20 0.47
GPR183 P32249 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
APLNR P35414 1/20 0.47
DRD3 P35462 1/20 0.47
CX3CR1 P49238 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
GPR65 Q8IYL9 1/20 0.47

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
SCHEMBL20765911 0.94 HTR2A (0.46) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL20794803 0.94 GPR119 (0.42) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL20766058 0.90 HTR2A (0.51) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL20766095 0.90 HTR2A (0.48) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL20765971 0.86 HTR2A (0.56) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL20766966 0.84 HTR2A (0.51) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL20766114 0.83 HTR2A (0.50) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL20766018 0.83 HTR2A (0.51) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL20766084 0.82 HTR2A (0.55) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL20794536 0.82 HTR2A (0.48) HTR2AABCB11CYP1A2ADRB2CHRM2

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-2019040106-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed