SCHEMBL13190486

SCHEMBL13190486

O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2cc(-c3ccc(C4CCCCC4)cc3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.60
RIPK1 Q13546 1/20 0.54
HTR2A P28223 4/20 0.53
HTR2C P28335 4/20 0.53
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
GAA P10253 2/20 0.47
USP2 O75604 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2B P41595 1/20 0.46
EPHX2 P34913 1/20 0.46
GRIN2B Q13224 1/20 0.46
SLC2A1 P11166 1/20 0.46
GPR142 Q7Z601 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
TRIM24 O15164 1/20 0.45

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
SCHEMBL13190274 0.90 DGAT1 (0.60) DGAT1HTR2AHTR2CHTR2B
SCHEMBL10198285 0.89 DGAT1 (0.65) DGAT1RIPK1HTR2AHTR2CLMNA
SCHEMBL410376 0.88 DGAT1 (0.79) DGAT1RIPK1
SCHEMBL410375 0.88 DGAT1 (0.79) DGAT1RIPK1
SCHEMBL13190607 0.86 DGAT1 (0.77) DGAT1HTR2AHTR2CPKMSMN1; SMN2
SCHEMBL13190423 0.86 DGAT1 (0.62) DGAT1HTR2AHTR2CLMNAMAPT
SCHEMBL13190476 0.84 DGAT1 (0.61) DGAT1HTR2AHTR2CMAPTPKM
SCHEMBL13190422 0.83 DGAT1 (0.63) DGAT1HTR2AHTR2CMAPTPKM
SCHEMBL13190617 0.82 DGAT1 (0.79) DGAT1HTR2AHTR2CLMNAMAPT
SCHEMBL13190276 0.80 DGAT1 (0.51) DGAT1HTR2AHTR2CSMN1; SMN2HTR2B

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-2010107768-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 WO disclosed