SCHEMBL904952

SCHEMBL904952

O=C1NCN(c2ccccc2)C12CCN(CCCC(c1cccc(F)c1)c1cccc(F)c1)CC2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.80
OPRK1 P41145 8/20 0.80
OPRD1 P41143 7/20 0.80
OPRL1 P41146 7/20 0.80
CYP1A2 P05177 3/20 0.80
ADRB1 P08588 3/20 0.80
CYP2D6 P10635 3/20 0.80
DRD2 P14416 3/20 0.80
ADRA2B P18089 3/20 0.80
ADRA2C P18825 3/20 0.80
HTR2A P28223 3/20 0.80
SLC6A4 P31645 3/20 0.80
ADRA1A P35348 3/20 0.80
HRH1 P35367 3/20 0.80
DRD3 P35462 3/20 0.80
HTR2B P41595 3/20 0.80
HTR6 P50406 3/20 0.80
SLC6A3 Q01959 3/20 0.80
NR1I2 O75469 2/20 0.80
ADRB2 P07550 2/20 0.80

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
Fluspirilene SCHEMBL15117504 0.89 OPRM1 (1.00) OPRM1OPRK1OPRD1OPRL1CYP1A2
Fluspirilene SCHEMBL42082 0.89 OPRM1 (1.00) OPRM1OPRK1OPRD1OPRL1CYP1A2
SCHEMBL904986 0.88 OPRM1 (0.71) OPRM1OPRK1OPRD1OPRL1CYP1A2
SCHEMBL904985 0.88 OPRM1 (0.70) OPRM1OPRK1OPRD1OPRL1CYP1A2
Fluspirilene SCHEMBL28221293 0.87 OPRM1 (0.91) OPRM1OPRK1OPRD1OPRL1CYP1A2
SCHEMBL13964192 0.83 OPRL1 (0.74) OPRM1OPRK1OPRD1OPRL1CYP1A2
SCHEMBL6402803 0.82 OPRM1 (0.74) OPRM1OPRK1OPRD1OPRL1CYP1A2
SCHEMBL11932466 0.81 OPRM1 (0.72) OPRM1OPRK1OPRD1OPRL1CYP1A2
Fluspirilene SCHEMBL15821919 0.78 OPRM1 (0.74) OPRM1OPRK1OPRD1OPRL1CYP1A2
SCHEMBL13687247 0.78 OPRL1 (0.66) OPRM1OPRK1OPRD1OPRL1CYP1A2

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