SCHEMBL16301538

SCHEMBL16301538

N=C(N)NCCC[C@H]1NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(CCCCNI)NC1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 8/20 0.55
▸ ITGA2B P08514 5/20 0.55
▸ CACNA1B Q00975 1/20 0.50
▸ MC4R P32245 8/20 0.49
▸ MC5R P33032 8/20 0.49
▸ MC3R P41968 8/20 0.49
▸ MC1R Q01726 8/20 0.49
▸ ITGAV P06756 3/20 0.49
▸ ITGB1 P05556 1/20 0.49
▸ ITGA5 P08648 1/20 0.49
▸ ITGB5 P18084 1/20 0.49
▸ CTSG P08311 1/20 0.48
▸ CXCR4 P61073 1/20 0.48
▸ KDM4A O75164 1/20 0.47

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
SCHEMBL29393726 0.95 ITGB3 (0.59) ITGB3ITGA2BCACNA1BMC4RMC5R
SCHEMBL19412647 0.93 ITGB3 (0.54) ITGB3ITGA2BCACNA1BMC4RMC5R
SCHEMBL16135323 0.93 ITGB3 (0.54) ITGB3ITGA2BCACNA1BMC4RMC5R
SCHEMBL16135240 0.93 ITGB3 (0.54) ITGB3ITGA2BCACNA1BMC4RMC5R
SCHEMBL15160074 0.93 ITGB3 (0.54) ITGB3ITGA2BCACNA1BMC4RMC5R
SCHEMBL24454392 0.93 ITGB3 (0.56) ITGB3ITGA2BCACNA1BMC4RMC5R
SCHEMBL19018807 0.93 ITGB3 (0.56) ITGB3ITGA2BCACNA1BMC4RMC5R
SCHEMBL15308347 0.93 ITGB3 (0.56) ITGB3ITGA2BCACNA1BMC4RMC5R
SCHEMBL23839922 0.93 ITGB3 (0.56) ITGB3ITGA2BCACNA1BMC4RMC5R
SCHEMBL7746029 0.93 ITGB3 (0.56) ITGB3ITGA2BCACNA1BMC4RMC5R

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
WO-2012016188-A2 METHODS AND COMPOSITIONS FOR DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-02 — — WO disclosed
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