SCHEMBL8067231

SCHEMBL8067231

C=C(NCCOC(c1cc(F)cc(Cl)c1)c1cccc(C(=O)O)c1)OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
ADRB3 P13945 7/20 0.36
ADRB1 P08588 4/20 0.36
ADRB2 P07550 1/20 0.36
GPR52 Q9Y2T5 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
ANPEP P15144 1/20 0.33
ENPEP Q07075 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
SCHEMBL3341164 0.90 REN (0.39) GPR139TRPM8ADRB3ADRB1ADRB2
SCHEMBL3341162 0.85 HTR1A (0.39) GPR139TRPM8ADRB3ADRB1ADRB2
SCHEMBL3341708 0.82 ADRB2 (0.41) GPR139TRPM8ADRB3ADRB1ADRB2
SCHEMBL3341159 0.81 TRPM8 (0.41) GPR139TRPM8PPARGSLC6A2SLC6A4
SCHEMBL1567463 0.79 HTT (0.45) GPR139ADRB3ADRB1ADRB2ALDH1A1
SCHEMBL1567460 0.79 HTT (0.45) GPR139ADRB3ADRB1ADRB2ALDH1A1
SCHEMBL12581027 0.78 ADRB3 (0.44) GPR139ADRB3ADRB1ADRB2MAPT
SCHEMBL12581020 0.78 ADRB3 (0.44) GPR139ADRB3ADRB1ADRB2MAPT
SCHEMBL2027362 0.78 HTT (0.43) GPR139ADRB3ADRB1ADRB2MAPT
SCHEMBL3346867 0.77 TRPM8 (0.42) GPR139TRPM8ADRB3ADRB1ADRB2

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-2008156817-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed