SCHEMBL16152202

SCHEMBL16152202

CCCCCC1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.55
▸ ITGA2B P08514 5/20 0.55
▸ MC4R P32245 9/20 0.54
▸ MC5R P33032 9/20 0.54
▸ MC3R P41968 9/20 0.54
▸ MC1R Q01726 9/20 0.54
▸ CACNA1B Q00975 1/20 0.51
▸ CTSG P08311 1/20 0.50
▸ ITGAV P06756 2/20 0.49
▸ ITGB5 P18084 1/20 0.49
▸ NNMT P40261 1/20 0.49
▸ KDM4A O75164 1/20 0.49
▸ ITGB1 P05556 1/20 0.48
▸ ITGA5 P08648 1/20 0.48

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
SCHEMBL17612703 0.97 MC4R (0.56) ITGB3ITGA2BMC4RMC5RMC3R
SCHEMBL29393726 0.95 ITGB3 (0.59) ITGB3ITGA2BMC4RMC5RMC3R
SCHEMBL15308349 0.94 ITGB3 (0.53) ITGB3ITGA2BMC4RMC5RMC3R
SCHEMBL19412647 0.93 ITGB3 (0.54) ITGB3ITGA2BMC4RMC5RMC3R
SCHEMBL16135323 0.93 ITGB3 (0.54) ITGB3ITGA2BMC4RMC5RMC3R
SCHEMBL15160074 0.93 ITGB3 (0.54) ITGB3ITGA2BMC4RMC5RMC3R
SCHEMBL23839922 0.93 ITGB3 (0.56) ITGB3ITGA2BMC4RMC5RMC3R
SCHEMBL19018807 0.93 ITGB3 (0.56) ITGB3ITGA2BMC4RMC5RMC3R
SCHEMBL15308347 0.93 ITGB3 (0.56) ITGB3ITGA2BMC4RMC5RMC3R
SCHEMBL24454392 0.93 ITGB3 (0.56) ITGB3ITGA2BMC4RMC5RMC3R

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-8853151-B2 Pro-drug complexes and related methods of use THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-07 — — US disclosed
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