SCHEMBL13002978

SCHEMBL13002978

CC(Cc1cc(Cl)ccc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCCC2)CC1)CN1CC[C@@H](F)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 3/20 0.45
▸ MC4R P32245 13/20 0.42
▸ MC5R P33032 1/20 0.42
▸ MC3R P41968 1/20 0.42
▸ MC1R Q01726 1/20 0.42
▸ UGCG Q16739 4/20 0.41
▸ CYP3A4 P08684 3/20 0.41

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
SCHEMBL12713202 0.92 CALCA (0.48) CALCAMC4RMC5RMC3RMC1R
SCHEMBL12713219 0.91 CALCA (0.44) CALCAMC4RMC5RMC3RMC1R
SCHEMBL13002977 0.83 MC4R (0.46) CALCAMC4RMC5RMC3RMC1R
SCHEMBL12713328 0.83 MC4R (0.46) CALCAMC4RMC5RMC3RMC1R
SCHEMBL12713330 0.83 MC4R (0.46) CALCAMC4RMC5RMC3RMC1R
SCHEMBL12713117 0.82 MC4R (0.51) CALCAMC4RMC5RMC3RMC1R
SCHEMBL12713143 0.80 MC4R (0.47) CALCAMC4RMC5RMC3RMC1R
SCHEMBL12713057 0.80 MC4R (0.44) CALCAMC4RMC5RMC3RMC1R
SCHEMBL12713320 0.80 CALCA (0.45) CALCAMC4RMC5RMC3RMC1R
SCHEMBL12713172 0.80 CALCA (0.47) CALCAMC4RMC5RMC3RMC1R

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-2004604-B1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2010-12-01 — — EP disclosed
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