SCHEMBL7189717

SCHEMBL7189717

CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)cc2N)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.54
IRAK4 Q9NWZ3 4/20 0.47
PIK3CD O00329 1/20 0.45
ALDH1A1 P00352 2/20 0.44
USP30 Q70CQ3 2/20 0.44
BRD4 O60885 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NSD2 O96028 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TNF P01375 2/20 0.43
BTK Q06187 1/20 0.43

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
SCHEMBL7178322 1.00 GPR119 (0.54) GPR119IRAK4PIK3CDALDH1A1USP30
SCHEMBL7178327 1.00 GPR119 (0.54) GPR119IRAK4PIK3CDALDH1A1USP30
SCHEMBL4438915 0.94 GPR119 (0.61) GPR119IRAK4ALDH1A1NPC1MAPT
SCHEMBL6154205 0.88 GPR119 (0.54) GPR119IRAK4PIK3CDALDH1A1BRD4
SCHEMBL16876713 0.85 GPR119 (0.58) GPR119IRAK4ALDH1A1NPC1MAPT
SCHEMBL7182933 0.84 GPR119 (0.51) GPR119IRAK4PIK3CDALDH1A1USP30
SCHEMBL7183947 0.84 GPR119 (0.51) GPR119IRAK4PIK3CDALDH1A1USP30
SCHEMBL7182925 0.84 GPR119 (0.51) GPR119IRAK4PIK3CDALDH1A1USP30
SCHEMBL16512911 0.84 USP30 (0.50) ALDH1A1USP30BRD4NPC1MAPT
SCHEMBL28475988 0.83 HDAC1 (0.47) GPR119IRAK4HDAC1HDAC2

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
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed