SCHEMBL4785576

SCHEMBL4785576

O=C(NCCc1cccc(Oc2ccccc2)c1)c1ccccc1N1CCN(C(=O)[C@@H](CCc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC4R P32245 11/20 0.55
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
UGCG Q16739 2/20 0.36

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
SCHEMBL4511502 0.94 MC4R (0.61) MC4RMEN1KMT2A
SCHEMBL4528843 0.87 MC4R (0.69) MC4RTNKSTNKS2MEN1KMT2A
SCHEMBL4785586 0.86 MC4R (0.41) MC4RTNKSTNKS2PTGDR2LMNA
SCHEMBL4532255 0.82 MC4R (0.67) MC4R
SCHEMBL4511510 0.81 MC4R (0.45) MC4R
SCHEMBL4529443 0.80 MC4R (0.66) MC4R
SCHEMBL4519844 0.79 MC4R (0.69) MC4R
SCHEMBL4518970 0.79 MC4R (0.64) MC4R
SCHEMBL13790245 0.78 MC4R (0.64) MC4R
SCHEMBL4506983 0.77 MC4R (0.68) MC4R

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