SCHEMBL14435581

SCHEMBL14435581

CN[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccc(Cl)cc2OCCN2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ F10 P00742 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MC4R P32245 4/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ ADAMTS5 Q9UNA0 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTR7 P34969 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ KCNA5 P22460 1/20 0.39
▸ CALCA P06881 1/20 0.39
▸ PROKR1 Q8TCW9 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
SCHEMBL12713076 0.90 CALCA (0.46) UGCGCYP3A4EPHX2F10MC4R
SCHEMBL14435262 0.90 HRH2 (0.43) UGCGCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL12738196 0.88 MC4R (0.52) UGCGCYP3A4F10MC4RKMT2A
SCHEMBL12713306 0.87 HDAC8 (0.48) EPHX2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13941840 0.87 MC4R (0.40) UGCGCYP3A4EPHX2F10MC4R
SCHEMBL12713085 0.87 CALCA (0.46) UGCGCYP3A4EPHX2F10MC4R
SCHEMBL12713302 0.87 CALCA (0.42) UGCGCYP3A4EPHX2F10MC4R
SCHEMBL14435958 0.87 CYP1A2 (0.41) EPHX2F10CYP1A2CYP2D6CYP2C9
SCHEMBL13940673 0.86 EPHX2 (0.41) EPHX2F10CYP1A2CYP2D6CYP2C9
SCHEMBL12713308 0.86 CALCA (0.42) UGCGCYP3A4EPHX2F10MC4R

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-2007096186-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-08-30 — — WO disclosed
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