SCHEMBL4786326

SCHEMBL4786326

Cc1cc(Cl)c(OCCOc2ccc(C3=CC4CCC(C3C(=O)O)N4C(=O)OC(C)(C)C)cn2)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.35
REN P00797 8/20 0.34
GABRA5 P31644 3/20 0.33
SYK P43405 2/20 0.33
FFAR2 O15552 1/20 0.33
PIK3CD O00329 1/20 0.32
POLB P06746 1/20 0.32
MMP13 P45452 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
SCHEMBL4786330 1.00 GPR119 (0.35) GPR119RENGABRA5SYKFFAR2
SCHEMBL4785830 0.90 REN (0.36) GPR119RENPOLB
SCHEMBL12750489 0.80 REN (0.36) GPR119RENMMP13
SCHEMBL1752424 0.77 NPBWR1 (0.38) GPR119
SCHEMBL1751573 0.77 NPBWR1 (0.38) GPR119
SCHEMBL1752248 0.76 GPR119 (0.38) GPR119RENGABRA5PIK3CDMMP13
SCHEMBL4687040 0.75 REN (0.39) RENGABRA5
SCHEMBL1751956 0.73 PIK3CD (0.41) RENSYKPIK3CD
SCHEMBL1751190 0.73 PIK3CD (0.41) RENSYKPIK3CD
SCHEMBL1751769 0.72 ESR2 (0.39) GPR119GABRA5PIK3CD

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-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO disclosed