SCHEMBL905028

SCHEMBL905028

OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 1.00
OPRK1 P41145 8/20 1.00
HTR1A P08908 7/20 1.00
DRD2 P14416 7/20 1.00
DRD4 P21917 7/20 1.00
HTR2A P28223 7/20 1.00
HTR2C P28335 7/20 1.00
HTR7 P34969 7/20 1.00
OPRD1 P41143 7/20 1.00
HTR1D P28221 6/20 1.00
HRH2 P25021 6/20 1.00
DRD3 P35462 6/20 1.00
HTR2B P41595 6/20 1.00
DRD1 P21728 5/20 1.00
DRD5 P21918 5/20 1.00
SLC6A2 P23975 5/20 1.00
SLC6A4 P31645 5/20 1.00
HTR6 P50406 5/20 1.00
SLC6A3 Q01959 5/20 1.00
OPRL1 P41146 4/20 0.88

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
SCHEMBL905043 0.93 OPRM1 (0.87) OPRM1OPRK1HTR1ADRD2DRD4
Penfluridol SCHEMBL30546621 0.92 OPRM1 (1.00) OPRM1OPRK1HTR1ADRD2DRD4
Penfluridol SCHEMBL93939 0.92 OPRM1 (1.00) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL905046 0.92 OPRM1 (0.85) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL905048 0.91 OPRM1 (0.84) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL905064 0.91 OPRM1 (0.84) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL904992 0.91 OPRM1 (0.84) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL905034 0.90 OPRM1 (0.82) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL905031 0.89 OPRM1 (0.81) OPRM1OPRK1HTR1ADRD2DRD4
Penfluridol SCHEMBL28123335 0.89 OPRM1 (0.94) OPRM1OPRK1HTR1ADRD2DRD4

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