SCHEMBL7182925

SCHEMBL7182925

CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.51
IRAK4 Q9NWZ3 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CD O00329 1/20 0.43
KMT2A Q03164 2/20 0.43
USP30 Q70CQ3 1/20 0.43
BRD4 O60885 1/20 0.41
HCAR3 P49019 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NSD2 O96028 1/20 0.41

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
SCHEMBL7182933 1.00 GPR119 (0.51) GPR119IRAK4ALDH1A1MAPTLMNA
SCHEMBL7183947 1.00 GPR119 (0.51) GPR119IRAK4ALDH1A1MAPTLMNA
SCHEMBL7190957 0.94 GPR119 (0.57) GPR119IRAK4ALDH1A1MAPTLMNA
SCHEMBL16876720 0.87 GPR119 (0.55) GPR119IRAK4ALDH1A1MAPTLMNA
SCHEMBL16513098 0.85 LMNA (0.47) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL14008588 0.85 GPR119 (0.58) GPR119IRAK4ALDH1A1MAPTNPC1
SCHEMBL28539191 0.85 USP30 (0.52) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL28539193 0.85 USP30 (0.52) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL28910137 0.85 USP30 (0.52) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL6154205 0.84 GPR119 (0.54) GPR119IRAK4ALDH1A1MAPTPIK3CD

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