SCHEMBL17152608

SCHEMBL17152608

CC(C[CH]C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.53
DRD4 P21917 11/20 0.53
DRD2 P14416 10/20 0.53
MCHR1 Q99705 1/20 0.51
SIGMAR1 Q99720 2/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
MME P08473 1/20 0.48

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
SCHEMBL17152266 0.94 SIGMAR1 (0.56) DRD4DRD2SIGMAR1HTR2AHTR2C
SCHEMBL17152224 0.87 SIGMAR1 (0.58) DRD4DRD2SIGMAR1HTR2AHTR2C
SCHEMBL6594029 0.86 UTS2R (0.55) BACE1DRD4DRD2SIGMAR1HTR2C
SCHEMBL6594584 0.85 UTS2R (0.62) DRD4DRD2SIGMAR1HTR2CHTR2B
SCHEMBL17152344 0.83 DRD2 (0.51) DRD4DRD2
SCHEMBL17152546 0.83 SIGMAR1 (0.54) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL4689693 0.83 ALDH1A1 (0.45) DRD4DRD2
SCHEMBL17152595 0.82 SIGMAR1 (0.56) DRD4DRD2SIGMAR1HTR2AHTR2C
SCHEMBL17152243 0.82 SIGMAR1 (0.59) MCHR1SIGMAR1
SCHEMBL6595055 0.82 UTS2R (0.64)

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
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 US disclosed