SCHEMBL904925

SCHEMBL904925

CC(=O)OC1(c2cccc(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.52
OPRD1 P41143 7/20 0.52
OPRL1 P41146 5/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2D6 P10635 4/20 0.52
MAPK1 P28482 3/20 0.52
MTOR P42345 3/20 0.52
TSHR P16473 2/20 0.52
TP53 P04637 2/20 0.52
THPO P40225 2/20 0.52
ABCB11 O95342 1/20 0.52
PKM P14618 1/20 0.52
EBP Q15125 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
PMP22 Q01453 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 1/20 0.51
DRD3 P35462 8/20 0.49
DRD2 P14416 7/20 0.49
HTR2A P28223 7/20 0.49

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
SCHEMBL904917 0.90 DRD3 (0.52) OPRM1OPRD1OPRL1CYP3A4CYP2D6
SCHEMBL904878 0.89 DRD2 (0.55) OPRM1OPRD1CYP3A4CYP2D6MAPK1
SCHEMBL904854 0.88 DRD3 (0.50) OPRM1OPRD1OPRL1CYP3A4CYP2D6
SCHEMBL905002 0.88 DRD3 (0.57) OPRM1OPRD1OPRL1CYP3A4CYP2D6
SCHEMBL11755595 0.85 ABCB11 (0.73) CYP3A4CYP2D6MAPK1MTORTSHR
SCHEMBL904874 0.85 TACR3 (0.57) OPRM1OPRD1OPRL1CYP3A4CYP2D6
SCHEMBL904887 0.84 OPRM1 (0.71) OPRM1OPRD1OPRL1DRD3DRD2
SCHEMBL904893 0.83 OPRM1 (0.75) OPRM1OPRD1OPRL1CYP3A4CYP2D6
SCHEMBL904897 0.82 DRD2 (0.58) OPRM1OPRD1CYP3A4CYP2D6MAPK1
SCHEMBL904932 0.81 DRD3 (0.57) OPRM1OPRD1CYP3A4CYP2D6MAPK1

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-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed