SCHEMBL13941840

SCHEMBL13941840

Cc1cc(N[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N2CCC(c3ccc(Cl)cc3OCCN3CCCC3)CC2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 5/20 0.40
▸ CALCA P06881 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ UGCG Q16739 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ PROKR1 Q8TCW9 3/20 0.38
▸ F10 P00742 3/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ PRCP P42785 1/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 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
SCHEMBL13948017 0.89 MC4R (0.38) MC4RCALCACYP3A4UGCGPROKR1
SCHEMBL13941155 0.88 MC4R (0.39) MC4RCALCAOPRM1OPRD1EPHX2
SCHEMBL14435581 0.87 UGCG (0.42) MC4RCALCACYP3A4UGCGPROKR1
SCHEMBL12713076 0.84 CALCA (0.46) MC4RCALCACYP3A4UGCGF10
SCHEMBL12738196 0.82 MC4R (0.52) MC4RCALCACYP3A4UGCGF10
SCHEMBL12713085 0.82 CALCA (0.46) MC4RCALCACYP3A4UGCGOPRM1
SCHEMBL12713306 0.81 HDAC8 (0.48) MC4REPHX2
SCHEMBL12713302 0.81 CALCA (0.42) MC4RCALCACYP3A4UGCGF10
SCHEMBL14435958 0.81 CYP1A2 (0.41) MC4RPROKR1F10EPHX2
SCHEMBL13940673 0.81 EPHX2 (0.41) F10EPHX2

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
WO-2009015867-A1 SUBSTITUTED ARYL OR HETEROARYLPIPERDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-02-05 — — WO disclosed
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