SCHEMBL20765895

SCHEMBL20765895

CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)[C@H]2CCCN(C)C2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.80
HTR2C P28335 4/20 0.80
ABCB11 O95342 1/20 0.80
CYP1A2 P05177 1/20 0.80
ADRB2 P07550 1/20 0.80
CHRM2 P08172 1/20 0.80
CHRM1 P11229 1/20 0.80
DRD1 P21728 1/20 0.80
TBXA2R P21731 1/20 0.80
SLC6A2 P23975 1/20 0.80
GPR183 P32249 1/20 0.80
CYP2C19 P33261 1/20 0.80
ADRA1A P35348 1/20 0.80
OPRM1 P35372 1/20 0.80
APLNR P35414 1/20 0.80
DRD3 P35462 1/20 0.80
CX3CR1 P49238 1/20 0.80
SLC6A3 Q01959 1/20 0.80
KCNH2 Q12809 1/20 0.80
GPR65 Q8IYL9 1/20 0.80

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
SCHEMBL20766270 1.00 HTR2A (0.80) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL20765906 0.95 HTR2A (0.90) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL20765839 0.95 HTR2A (0.90) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL29072932 0.95 HTR2A (0.90) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL20794857 0.93 HTR2A (0.93) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL20766842 0.93 HTR2A (0.93) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL20765991 0.90 HTR2A (0.72) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL20794645 0.90 HTR2A (0.64) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL20794652 0.90 HTR2A (0.64) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL20794651 0.90 HTR2A (0.64) HTR2AHTR2CABCB11CYP1A2ADRB2

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