SCHEMBL9742113

SCHEMBL9742113

COc1cccc(C23CCCN2C(=O)c2cc(Cl)ccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.43
TP53 P04637 2/20 0.41
MDM2 Q00987 2/20 0.41
KMT2A Q03164 1/20 0.40
SCN9A Q15858 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
SLC6A4 P31645 3/20 0.38
SIGMAR1 Q99720 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
PARP1 P09874 1/20 0.38
CBX7 O95931 1/20 0.37
CDYL2 Q8N8U2 1/20 0.37
CDYL Q9Y232 1/20 0.37
CDY1; CDY1B Q9Y6F8 1/20 0.37

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
SCHEMBL9742640 0.91 CHRM5 (0.46) CHRM5TP53MDM2KMT2ASCN9A
SCHEMBL9742083 0.88 CHRM5 (0.43) CHRM5MDM2KMT2ASLC6A4SLC6A2
SCHEMBL9742586 0.87 HTT (0.38) CHRM5KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL9742140 0.86 CHRM5 (0.49) CHRM5KMT2AOPRD1OPRK1SLC6A4
SCHEMBL9742428 0.85 LMNA (0.37) CHRM5MDM2KMT2APARP1
SCHEMBL9743436 0.84 GRIN1 (0.39) CHRM5KMT2ASIGMAR1
SCHEMBL9743342 0.83 PSEN1 (0.40) CHRM5MDM2KMT2A
SCHEMBL9744849 0.83 PARP1 (0.46) SIGMAR1PARP1
SCHEMBL9744919 0.81 HTT (0.40) CHRM5MDM2KMT2ASLC6A4SLC6A2
SCHEMBL9744852 0.80 CHRM5 (0.44) CHRM5OPRK1SLC6A4SLC6A2SLC6A3

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