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SCHEMBL12464359

SCHEMBL12464359

NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MC5R P33032 2/20 0.68
▸ MC1R Q01726 2/20 0.68
▸ MMP2 P08253 1/20 0.57
▸ MMP7 P09237 1/20 0.57
▸ MMP9 P14780 1/20 0.57
▸ MMP8 P22894 1/20 0.57
▸ MMP14 P50281 1/20 0.57
▸ NPY1R P25929 3/20 0.56
▸ NPY2R P49146 3/20 0.56
▸ NPY4R P50391 3/20 0.56

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
SCHEMBL12464197 1.00 MC5R (0.68) MC5RMC1RMMP2MMP7MMP9
SCHEMBL12464195 1.00 MC5R (0.68) MC5RMC1RMMP2MMP7MMP9
SCHEMBL12464476 0.95 MC5R (0.61) MC5RMC1RMMP2MMP7MMP9
SCHEMBL12464198 0.89 MC5R (0.59) MC5RMC1R
SCHEMBL12464474 0.89 CTSC (0.58) MC5RMC1RMMP2MMP7MMP9
SCHEMBL12464481 0.89 MC5R (0.59) MC5RMC1R
SCHEMBL12464202 0.89 MC5R (0.59) MC5RMC1R
SCHEMBL12464360 0.87 NPY1R (0.56) NPY1RNPY2RNPY4R
SCHEMBL5558360 0.87 ECE1 (0.69) NPY1RNPY2RNPY4R
SCHEMBL30291268 0.87 ECE1 (0.69) NPY1RNPY2RNPY4R

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
US-20110183358-A1 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE THE BURNHAM INSTITUTE (US) 2011-07-28 — — US disclosed