SCHEMBL29168653

SCHEMBL29168653

Cc1ccc2c(c1)CNC2C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 6/20 0.34
SLC6A4 P31645 6/20 0.34
SLC6A3 Q01959 6/20 0.34
GFER P55789 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
HTR2C P28335 2/20 0.33
CYP2D6 P10635 1/20 0.31
SRD5A1 P18405 1/20 0.31

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
SCHEMBL15912353 0.81 PNMT (0.34) CHRNB2CHRNA4CYP2D6
SCHEMBL21180381 0.76 ALDH1A1 (0.40) DRD1CYP2D6
SCHEMBL22023616 0.76 ALDH1A1 (0.40) DRD1CYP2D6
SCHEMBL13460942 0.76 CHRNB2 (0.39) CHRNB2CHRNA4DRD2DRD1SLC6A2
SCHEMBL14279490 0.76 ALDH1A1 (0.40) DRD1CYP2D6
SCHEMBL18664431 0.76 CHRNB2 (0.39) CHRNB2CHRNA4DRD2DRD1SLC6A2
SCHEMBL21977132 0.74 PNMT (0.31)
SCHEMBL8290177 0.74 CHRNB2 (0.38) CHRNB2CHRNA4DRD2DRD1SLC6A2
SCHEMBL22523926 0.74 DRD2 (0.40) CHRNB2CHRNA4DRD2DRD1SLC6A2
SCHEMBL27650139 0.70 CHRNB2 (0.35) CHRNB2CHRNA4DRD2DRD1SLC6A2

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
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 CN disclosed