SCHEMBL2595236

SCHEMBL2595236

BrCc1ccc2c(c1)CC(C1CCNCC1)O2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.38
GPR119 Q8TDV5 5/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL2595915 0.81 PNMT (0.36) RORCGPR119HRH3CHRM2CHRM4
SCHEMBL12209509 0.74 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL2595440 0.73 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11478932 0.71 CYP4F2 (0.42) RORCGPR119
SCHEMBL9974152 0.70 LPL (0.33) RORCGPR119
SCHEMBL9936211 0.69 GPR119 (0.45) RORCGPR119HRH3
Hydrochloric Acid SCHEMBL15007649 0.69 GPR119 (0.45) RORCGPR119HRH3
SCHEMBL9936855 0.68 CHRNB2 (0.37) GPR119
SCHEMBL14575491 0.67 GPR119 (0.46) GPR119HRH3
SCHEMBL18274518 0.67 CHRNB2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566862-A1 BENZOFURANYL ANALOGUES AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2013-03-13 EP disclosed
WO-2011140161-A1 BENZOFURANYL ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO disclosed