SCHEMBL6277003

SCHEMBL6277003

CCCCCc1nc(C(=O)O)c(Br)n1CC

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.40
AGTR2 P50052 6/20 0.40
HCAR2 Q8TDS4 1/20 0.40
PPARG P37231 3/20 0.37

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
Iodide SCHEMBL28326280 0.70 GLA (0.37) AGTR1AGTR2
SCHEMBL5484884 0.67 AGTR1 (0.36) AGTR1AGTR2HCAR2PPARG
SCHEMBL3109908 0.67 HCAR2 (0.43) HCAR2
SCHEMBL15894461 0.67 RARB (0.43) HCAR2
SCHEMBL5701035 0.66 HCAR2 (0.44) HCAR2PPARG
SCHEMBL4886946 0.64 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL20504181 0.60 NPSR1 (0.43) HCAR2
SCHEMBL3862291 0.60 HCAR2 (0.40) HCAR2
SCHEMBL948543 0.60 HCAR2 (0.46) HCAR2PPARG
SCHEMBL9642982 0.60 GPR35 (0.48) HCAR2

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
WO-2005066137-A1 2,5-DIARYL-1H-IMIDAZOLE-4-CARBOXAMIDES AS NEUROKININ-3 RECEPTOR MODULATORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES NEUROGEN CORPORATION (US) 2005-07-21 WO disclosed