SCHEMBL9739787

SCHEMBL9739787

O=C1c2ccccc2C2(c3cccc(F)c3)CCCN12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 9/20 0.43
PGR P06401 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 2/20 0.38
SLC6A9 P48067 1/20 0.38
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9743342 0.85 PSEN1 (0.40) CHRM5MAPTMEN1KMT2AOPRM1
SCHEMBL9743551 0.85 PSEN1 (0.40) CHRM5MAPTMEN1KMT2AOPRM1
SCHEMBL9738615 0.85 CHRM5 (0.46) CHRM5PGRNPC1POLBMAPT
SCHEMBL9739723 0.85 LMNA (0.46) CHRM5NPC1POLBMAPTMEN1
SCHEMBL9740279 0.85 HTT (0.47) CHRM5PGRNPC1POLBMAPT
SCHEMBL9738601 0.84 CHRM5 (0.53) CHRM5NPC1POLBMAPTMEN1
SCHEMBL9741279 0.83 PARK7 (0.43) CHRM5NPC1POLBMAPTMEN1
SCHEMBL9739646 0.83 CHRM5 (0.42) CHRM5NPC1POLBMAPT
SCHEMBL9742140 0.81 CHRM5 (0.49) CHRM5KMT2AOPRM1SLC6A9OPRD1
SCHEMBL9740491 0.81 MEN1 (0.40) CHRM5PGRNPC1POLBMAPT

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-1992016529-A1 NOVEL ISOINDOLE DERIVATIVES AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1992-10-01 WO disclosed