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SCHEMBL4785586

SCHEMBL4785586

O=C(NCCc1cccc(Oc2ccccc2)c1)c1ccccc1N1CCN(C(=O)[C@@H](CCc2ccc(Cl)cc2)NC(=O)C2N[CH]Cc3ccccc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 14/20 0.41
▸ TNKS O95271 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ MC3R P41968 2/20 0.36
▸ MC5R P33032 1/20 0.35
▸ MC1R Q01726 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ UGCG Q16739 2/20 0.35

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
SCHEMBL4511510 0.94 MC4R (0.45) MC4RMC3RMC5RMC1R
SCHEMBL4528848 0.88 MC4R (0.49) MC4RTNKSTNKS2MC3RMC5R
SCHEMBL4785576 0.86 MC4R (0.55) MC4RTNKSTNKS2PTGDR2LMNA
SCHEMBL4532263 0.82 MC4R (0.47) MC4RMC3RMC5RMC1R
SCHEMBL4511502 0.81 MC4R (0.61) MC4RMC3RMC5RMC1R
SCHEMBL4519847 0.80 MC4R (0.48) MC4RMC3RMC5RMC1R
SCHEMBL4518978 0.79 MC4R (0.47) MC4RMC3RMC5RMC1R
SCHEMBL4519867 0.78 MC4R (0.47) MC4RMC3RMC5RMC1R
SCHEMBL4506992 0.78 MC4R (0.48) MC4RMC3RMC5RMC1R
SCHEMBL4524649 0.78 MC4R (0.46) MC4RMC3RMC5RMC1R

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-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 — — EP disclosed