SCHEMBL7120430

SCHEMBL7120430

CCS(=O)(=O)NCC(c1ccccc1F)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC4R P32245 6/20 0.53
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 1/20 0.47
GPR119 Q8TDV5 6/20 0.46
STS P08842 1/20 0.45
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP3A5 P20815 2/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL5411201 0.91 MC4R (0.66) MC4RCYP3A4GPR119STSCYP3A5
SCHEMBL5413894 0.87 MC4R (0.55) MC4RCYP3A4GPR119CYP3A5
SCHEMBL14593411 0.87 MC4R (0.52) MC4RCYP3A4GPR119CYP3A5
SCHEMBL14593357 0.86 MC4R (0.54) MC4RCYP3A4GPR119STSCYP3A5
SCHEMBL5413683 0.86 MC4R (0.54) MC4RCYP3A4GPR119STSCYP3A5
SCHEMBL5418046 0.85 MC4R (0.69) MC4RCYP3A4GPR119STSCYP3A5
SCHEMBL5407759 0.84 MC4R (0.49) MC4RCYP3A4GPR119CYP3A5
SCHEMBL14593432 0.84 MC4R (0.71) MC4RCYP3A4CYP2C19GPR119LMNA
SCHEMBL14593453 0.83 MC4R (0.48) MC4RCYP3A4GPR119CYP3A5
SCHEMBL14593286 0.83 MC4R (0.59) MC4RGPR119LMNAPOLB

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-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