SCHEMBL3264155

SCHEMBL3264155

CC(=O)N1CCCC2CCCC[C@H]21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
OPRL1 P41146 1/20 0.45
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
CNR2 P34972 1/20 0.42
HSD11B1 P28845 4/20 0.41
HSD17B1 P14061 1/20 0.40
CHRM2 P08172 6/20 0.40
CHRM4 P08173 6/20 0.40
CHRM5 P08912 6/20 0.40
CHRM1 P11229 6/20 0.40
CHRM3 P20309 6/20 0.40

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
SCHEMBL12335228 1.00 POLB (0.53) POLBTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL13102956 0.96 POLB (0.49) POLBTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL27630749 0.94 POLB (0.46) POLBTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL9864629 0.92 POLB (0.49) POLBTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL9731595 0.90 POLB (0.48) POLBTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL9731600 0.90 POLB (0.48) POLBTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL9732288 0.88 DPP7 (0.50) POLBTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL9732284 0.88 DPP7 (0.50) POLBTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL17001739 0.86 TDP1 (0.46) POLBTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL12506229 0.85 POLB (0.44) POLBTDP1NPC1RAB9ASMN1; SMN2

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
EP-2078001-B1 DIAZEPANE-ACETAMIDE DERIVATIVES AS SELECTIVE 11 -HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2010-05-12 EP claimed