SCHEMBL28008299

SCHEMBL28008299

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 5/20 0.32
PDPK1 O15530 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32

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
SCHEMBL28008677 0.86 GPR4 (0.41) GPR4AGTR1AGTR2
SCHEMBL1625470 0.84 GPR4 (0.35) GPR4AGTR1
SCHEMBL1624690 0.84 GPR4 (0.35) GPR4
SCHEMBL1625428 0.84 GPR4 (0.35) GPR4AGTR1AGTR2
SCHEMBL27618331 0.81 GPR4 (0.34) GPR4
SCHEMBL1624681 0.77 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL3953485 0.74 GPR4 (0.45) GPR4
Ammonia Solution, Strong SCHEMBL28008755 0.73 GPR4 (0.44) GPR4
SCHEMBL27618343 0.72 GPR4 (0.40) GPR4
SCHEMBL1624173 0.72 AGTR1 (0.41) GPR4AGTR1AGTR2

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