SCHEMBL18404253

SCHEMBL18404253

CN1CC(Oc2ccccc2C(C)(C)C)C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 10/20 0.58
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A4 P31645 2/20 0.38
HTR6 P50406 1/20 0.38
MAPT P10636 2/20 0.38
TTR P02766 1/20 0.38
TP53 P04637 1/20 0.38
CHRM4 P08173 1/20 0.37
CHRM3 P20309 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL17955427 0.89 RBP4 (0.52) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL17955430 0.83 RBP4 (0.56) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL22023666 0.82 RBP4 (0.53) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL3105695 0.80 RBP4 (0.74) RBP4ALDH1A1MAPTTTRKDM4E
SCHEMBL23665229 0.79 RBP4 (0.51) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL22702793 0.79 RBP4 (0.51) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL3108232 0.79 RBP4 (0.57) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL18404342 0.79 RBP4 (0.54) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL3105874 0.77 RBP4 (0.67) RBP4ALDH1A1SMN1; SMN2L3MBTL1TTR
SCHEMBL18404526 0.77 RBP4 (0.63) RBP4CYP1A2CYP2D6CYP2C19HSD17B10

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
EP-2202223-B1 HETEROCYCLIC COMPOUND AS BLOOD RBP4 LOWERING AGENT TAKEDA PHARMACEUTICALS CO (JP) 2017-01-25 EP disclosed