SCHEMBL9738601

SCHEMBL9738601

O=C1c2ccccc2C2(c3cccc(C(F)(F)F)c3)CCCN12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.53
MAPT P10636 1/20 0.42
SLC6A4 P31645 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR2 P41597 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
OPRM1 P35372 1/20 0.39
CNR2 P34972 1/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL9741164 0.86 CHRM5 (0.49) CHRM5MEN1KMT2ANPC1POLB
SCHEMBL9744852 0.86 CHRM5 (0.44) CHRM5MAPTSLC6A4CCR2OPRM1
SCHEMBL9743002 0.86 CHRM5 (0.46) CHRM5MAPTSLC6A4OPRM1
SCHEMBL9739787 0.84 CHRM5 (0.43) CHRM5MAPTMEN1KMT2ANPC1
SCHEMBL9739723 0.81 LMNA (0.46) CHRM5MAPTMEN1KMT2ANPC1
SCHEMBL9740279 0.81 HTT (0.47) CHRM5MAPTMEN1KMT2ANPC1
SCHEMBL9742140 0.79 CHRM5 (0.49) CHRM5SLC6A4KMT2AOPRM1
SCHEMBL9740111 0.78 SLC6A2 (0.43) CHRM5SLC6A4MEN1KMT2ANPC1
SCHEMBL9738615 0.77 CHRM5 (0.46) CHRM5MAPTMEN1KMT2ANPC1
SCHEMBL9742164 0.76 CHRM5 (0.47) CHRM5MAPTMEN1KMT2ANPC1

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