SCHEMBL5407759

SCHEMBL5407759

CCC(CC)CNCC(c1ccccc1F)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC4R P32245 6/20 0.49
GPR119 Q8TDV5 7/20 0.46
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 2/20 0.41
DPP4 P27487 1/20 0.40
GLS O94925 1/20 0.40
KCNQ2 O43526 1/20 0.39

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
SCHEMBL14593453 0.91 MC4R (0.48) MC4RGPR119CYP3A4CYP3A5GLS
SCHEMBL14593411 0.91 MC4R (0.52) MC4RGPR119CYP3A4CYP3A5GLS
SCHEMBL5413669 0.87 MC4R (0.52) MC4RGPR119CYP3A4CYP3A5GLS
SCHEMBL5413683 0.86 MC4R (0.54) MC4RGPR119CYP3A4CYP3A5GLS
SCHEMBL14593357 0.86 MC4R (0.54) MC4RGPR119CYP3A4CYP3A5GLS
SCHEMBL5417823 0.85 MC4R (0.55) MC4RGPR119CYP3A4CYP3A5GLS
SCHEMBL5413894 0.85 MC4R (0.55) MC4RGPR119CYP3A4CYP3A5
SCHEMBL5418046 0.85 MC4R (0.69) MC4RGPR119CYP3A4CYP3A5
SCHEMBL7120430 0.84 MC4R (0.53) MC4RGPR119CYP3A4CYP3A5
SCHEMBL14593432 0.84 MC4R (0.71) MC4RGPR119CYP3A4CYP3A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-20040116699-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-06-17 US disclosed
EP-1358163-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-11-05 EP disclosed
WO-2002059095-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed