SCHEMBL9617072

SCHEMBL9617072

O=C1CCc2ccccc2N(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NOTUM Q6P988 1/20 0.46
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
PREP P48147 2/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
TMEM97 Q5BJF2 1/20 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
SCHEMBL7045087 0.85 NPC1 (0.61) NPC1RAB9AL3MBTL1NOTUMPTGER1
SCHEMBL7423680 0.82 L3MBTL1 (0.52) NPC1RAB9AL3MBTL1NOTUMPTGER1
SCHEMBL10832646 0.78 PREP (0.47) NPC1RAB9AL3MBTL1POLBCA12
SCHEMBL9377728 0.76 LIPE (0.51) NPC1RAB9AL3MBTL1POLBCA12
SCHEMBL7379822 0.76 CASP1 (0.52) NPC1RAB9AL3MBTL1POLBCA12
SCHEMBL12474901 0.73 NPC1 (0.63) NPC1RAB9AL3MBTL1NOTUMPOLB
SCHEMBL5647759 0.72 LIPE (0.49) NPC1RAB9AL3MBTL1POLBCA12
SCHEMBL876242 0.72 CASP1 (0.48) NPC1RAB9APOLBCA12CA1
SCHEMBL9201957 0.72 POLB (0.51) NPC1RAB9AL3MBTL1NOTUMPTGER1
SCHEMBL15201849 0.70 F10 (0.56) CA12CA1CA2CA9SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4210967-A None JP disclosed
JP-H04210967-A 2-BENZAZEPINE COMPOUND YOSHITOMI PHARMACEUT IND LTD 1992-08-03 JP disclosed