SCHEMBL8091588

SCHEMBL8091588

NCCC[C@H](NC(=O)C1(C(=O)NCc2ccc3ccccc3c2)CCCC1)OBO

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 6/20 0.38
MC3R P41968 4/20 0.38
MC5R P33032 3/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
MC1R Q01726 3/20 0.36
TPSAB1 Q15661 2/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MCHR1 Q99705 1/20 0.35
FAAH O00519 1/20 0.34
NLN Q9BYT8 1/20 0.34
MMP1 P03956 1/20 0.34
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33

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
SCHEMBL8091583 0.94 MC4R (0.39) MC4RMC3RMC5RMETAP2METAP1
SCHEMBL8095188 0.89 MMP8 (0.39) METAP2MMP1ERCC1ERCC4
SCHEMBL8091670 0.89 MMP8 (0.38) MMP1ERCC1ERCC4
SCHEMBL8090156 0.88 MMP8 (0.39) METAP2
SCHEMBL8083579 0.84 ALDH1A1 (0.46)
SCHEMBL8095182 0.82 MMP8 (0.40) METAP2MMP1
SCHEMBL8095467 0.82 CYP3A4 (0.38) MMP1
SCHEMBL8091668 0.82 MMP8 (0.39) MMP1ERCC1ERCC4
SCHEMBL8095293 0.81 CCR2 (0.40)
SCHEMBL8098091 0.81 MMP8 (0.43)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed