SCHEMBL13948017

SCHEMBL13948017

Cc1cc(N[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N2CCC(c3ccc(Cl)cc3OCCN3C=CCC3)CC2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 14/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ UGCG Q16739 1/20 0.36
▸ PROKR1 Q8TCW9 2/20 0.36
▸ F10 P00742 1/20 0.36
▸ ADAM17 P78536 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ CALCA P06881 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
SCHEMBL13941840 0.89 MC4R (0.40) MC4RCYP3A4UGCGPROKR1F10
SCHEMBL13941155 0.77 MC4R (0.39) MC4RCALCA
SCHEMBL14435581 0.76 UGCG (0.42) MC4RCYP3A4UGCGPROKR1F10
SCHEMBL12713076 0.73 CALCA (0.46) MC4RCYP3A4UGCGF10CALCA
SCHEMBL12713070 0.72 CALCA (0.47) MC4RCYP3A4UGCGCALCA
SCHEMBL12713085 0.71 CALCA (0.46) MC4RCYP3A4UGCGF10CALCA
SCHEMBL12738196 0.71 MC4R (0.52) MC4RCYP3A4UGCGF10CALCA
SCHEMBL12713089 0.71 CALCA (0.45) MC4RCYP3A4UGCGF10CALCA
SCHEMBL12713110 0.70 CALCA (0.46) MC4RCYP3A4UGCGF10CALCA
SCHEMBL12713302 0.70 CALCA (0.42) MC4RCYP3A4UGCGF10CALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020405-A1 Substituted aryl or heteroarylpiperidine derivatives as melanocortin-4 receptor modulators Santhera Pharmaceuticals (Schweiz) AG (CH) 2009-02-04 — — EP disclosed
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