SCHEMBL4667834

SCHEMBL4667834

CCOC(=O)N1C2CCC1CC(c1ccc(Cl)cc1CCCNC(C)=O)C2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 15/20 0.50
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CNR1 P21554 1/20 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
SCHEMBL4667819 0.87 CHRM1 (0.47) CHRM1CHRM4CHRM5
Iodide SCHEMBL4668691 0.78 GFER (0.49) GFERHSD17B10MTNR1AMTNR1BCNR1
SCHEMBL3130545 0.76 MC4R (0.49) CHRM1
SCHEMBL3140407 0.75 CHRM1 (0.52) CHRM1CHRM4CHRM5
SCHEMBL3139752 0.74 CHRM1 (0.48) CHRM1CHRM4CHRM5
Hydrochloric Acid SCHEMBL4669744 0.73 MC4R (0.36) GFERHSD17B10
Hydrochloric Acid SCHEMBL4669743 0.72 MC4R (0.48)
SCHEMBL12896413 0.68 CHRM1 (0.48) CHRM1CHRM4CHRM5
SCHEMBL2148100 0.67 CHRM1 (1.00) CHRM1CHRM4CHRM5
SCHEMBL2287108 0.65 CHRM1 (0.80) CHRM1CHRM4CHRM5

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-1610789-A4 BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2008-02-27 EP disclosed
EP-1610789-A1 BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-01-04 EP disclosed
WO-2004087159-A1 BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2004-10-14 WO disclosed