SCHEMBL9739723

SCHEMBL9739723

Cc1cccc(C23CCCN2C(=O)c2ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PARP1 P09874 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.41
HDAC4 P56524 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
CHRM5 P08912 5/20 0.38
HSD11B1 P28845 1/20 0.37
BACE1 P56817 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 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
SCHEMBL9742428 0.85 LMNA (0.37) LMNANPSR1PARP1MAPTHDAC4
SCHEMBL9745487 0.85 SMN1; SMN2 (0.38) LMNANPSR1PARP1NPC1POLB
SCHEMBL9739497 0.85 MAPT (0.46) LMNANPSR1PARP1NPC1POLB
SCHEMBL9740279 0.85 HTT (0.47) LMNANPSR1NPC1POLBMAPT
SCHEMBL9739787 0.85 CHRM5 (0.43) NPC1POLBMAPTKMT2AMEN1
SCHEMBL9742140 0.84 CHRM5 (0.49) PARP1KMT2ACHRM5BACE1OPRM1
SCHEMBL9743423 0.83 PARP1 (0.43) LMNANPSR1PARP1NPC1POLB
SCHEMBL9743467 0.83 PARP1 (0.43) LMNAPARP1NPC1POLBMAPT
SCHEMBL9738601 0.81 CHRM5 (0.53) NPC1POLBMAPTKMT2AMEN1
SCHEMBL9740111 0.81 SLC6A2 (0.43) LMNANPSR1NPC1POLBKMT2A

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