SCHEMBL8095293

SCHEMBL8095293

NCCC[C@H](NC(=O)C1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCC1)OBO

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.40
TACR1 P25103 1/20 0.39
CYP3A4 P08684 1/20 0.36
MTOR P42345 1/20 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
SCHEMBL8095188 0.84 MMP8 (0.39)
SCHEMBL8090156 0.82 MMP8 (0.39)
SCHEMBL8091588 0.81 MC4R (0.38)
SCHEMBL8083579 0.81 ALDH1A1 (0.46) CYP3A4
SCHEMBL8098117 0.77 CPB2 (0.33)
SCHEMBL8095182 0.77 MMP8 (0.40)
SCHEMBL8090134 0.76 KDM4E (0.36)
SCHEMBL8095467 0.76 CYP3A4 (0.38) TACR1CYP3A4
SCHEMBL8091668 0.76 MMP8 (0.39)
SCHEMBL8098091 0.76 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