SCHEMBL28008677

SCHEMBL28008677

Cc1cc(C)c2nc(CC(C)C)n(-c3ccc(CCN=[N+]=[N-])cc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 3/20 0.41
CRHR1 P34998 1/20 0.36
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.33

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
SCHEMBL28008299 0.86 GPR4 (0.32) GPR4AGTR1AGTR2
SCHEMBL1625625 0.84 GPR4 (0.43) GPR4CRHR1AGTR2
SCHEMBL1625432 0.84 GPR4 (0.46) GPR4CRHR1KCNH2HRH3AGTR2
SCHEMBL1624892 0.84 GPR4 (0.43) GPR4CRHR1KCNH2HRH3
SCHEMBL27579860 0.82 GPR4 (0.45) GPR4CRHR1KCNH2HRH3
SCHEMBL27618343 0.80 GPR4 (0.40) GPR4KCNH2HRH3
SCHEMBL7626311 0.78 GPR4 (0.39) GPR4
SCHEMBL1625041 0.78 AGTR1 (0.41) GPR4AGTR1AGTR2
SCHEMBL7626314 0.76 GPR4 (0.38) GPR4
SCHEMBL3953485 0.74 GPR4 (0.45) GPR4

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
CN-101967146-B Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC 2015-04-08 CN disclosed