SCHEMBL6169162

SCHEMBL6169162

CC(C)(C)OC(=O)N1CCC(c2ccc(CCCOc3cc(F)ccc3Br)cc2)=C(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MKNK1 Q9BUB5 4/20 0.40
CHRM5 P08912 5/20 0.38
CHRM1 P11229 5/20 0.38
PTGER4 P35408 1/20 0.38
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM3 P20309 2/20 0.35
P2RX3 P56373 2/20 0.35
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ESR2 Q92731 1/20 0.35
MET P08581 1/20 0.34

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
SCHEMBL5941924 0.92 MKNK1 (0.40) RENFFAR1FFAR4MKNK1CHRM5
SCHEMBL5942248 0.92 CHRM5 (0.39) MKNK1CHRM5CHRM1PTGER4CHRM2
SCHEMBL5942308 0.84 CHRM5 (0.42) RENCHRM5CHRM1CHRM2CHRM4
SCHEMBL5941620 0.84 MKNK1 (0.41) MKNK1CHRM5CHRM1PTGER4CHRM2
SCHEMBL5276073 0.81 REN (0.38) RENCHRM5CHRM1PTGER4CHRM2
SCHEMBL952114 0.80 ESR2 (0.45) MKNK1CHRM5CHRM1PTGER4HDAC1
SCHEMBL3096155 0.79 CHRM5 (0.39) CHRM5CHRM1PTGER4CHRM2CHRM4
SCHEMBL5942202 0.77 CHRM5 (0.38) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL5941865 0.77 CHRM5 (0.43) RENCHRM5CHRM1CHRM2CHRM4
SCHEMBL5941836 0.76 FFAR4 (0.46) RENFFAR1FFAR4SCDSCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP disclosed
WO-2004105738-A2 USE OF TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO disclosed