SCHEMBL5329449

SCHEMBL5329449

Cc1ccc(CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.59
HTR2C P28335 3/20 0.59
CYP2C19 P33261 3/20 0.59
OPRM1 P35372 2/20 0.59
CYP1A2 P05177 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
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
SCHEMBL340169 1.00 HTR2A (0.59) HTR2AHTR2CCYP2C19OPRM1CYP1A2
SCHEMBL4211121 0.89 OPRM1 (0.61) OPRM1CHRM2CCR5UBE2MDCUN1D1
SCHEMBL7091708 0.89 OPRM1 (0.61) OPRM1CHRM2CCR5UBE2MDCUN1D1
SCHEMBL342508 0.89 OPRM1 (0.56) HTR2AHTR2CCYP2C19OPRM1CYP1A2
Hydrochloric Acid SCHEMBL4207721 0.88 OPRM1 (0.60) OPRM1CHRM2CCR5UBE2MDCUN1D1
SCHEMBL342509 0.88 HTR2A (0.72) HTR2AHTR2CCYP2C19OPRM1CYP1A2
Oxalic Acid SCHEMBL4208908 0.87 OPRM1 (0.59) OPRM1CHRM2CCR5UBE2MDCUN1D1
SCHEMBL341179 0.86 CCR5 (0.55) HTR2AHTR2CCYP2C19OPRM1CYP1A2
SCHEMBL341274 0.85 UBE2M (0.65) HTR2ACCR5UBE2MDCUN1D1
SCHEMBL10322397 0.85 HTR2A (0.58) HTR2ACYP2C19OPRM1KCNH2SLC6A2

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-2007124136-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2007-11-01 WO disclosed