SCHEMBL18404342

SCHEMBL18404342

CC(C)(C)c1ccccc1OC1CN(Sc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 10/20 0.54
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TTR P02766 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRM3 P20309 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL18404253 0.79 RBP4 (0.58) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL3105695 0.75 RBP4 (0.74) RBP4TTRALDH1A1ATMTDP1
SCHEMBL22023666 0.74 RBP4 (0.53) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL3108232 0.74 RBP4 (0.57) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL3105351 0.72 RBP4 (0.55) RBP4L3MBTL1GAA
SCHEMBL3094503 0.72 RBP4 (0.69) RBP4ALDH1A1ATMTDP1
SCHEMBL17955427 0.72 RBP4 (0.52) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL23665229 0.72 RBP4 (0.51) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL22702793 0.72 RBP4 (0.51) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL13299698 0.71 RBP4 (0.75) RBP4TTRALDH1A1ATMTDP1

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