SCHEMBL8366143

SCHEMBL8366143

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccn2)cc1)C(=O)C(F)(F)CNCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
MAOB P27338 1/20 0.42
ITGB3 P05106 6/20 0.41
ITGA2B P08514 6/20 0.41
GPR132 Q9UNW8 1/20 0.41

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
SCHEMBL8364492 0.88 CTSD (0.48) CTSDCASP3CASP7MAOB
SCHEMBL7416124 0.83 CASP3 (0.49) CTSDCASP3CASP7
SCHEMBL9579040 0.82 CASP3 (0.46) CTSDCASP3CASP7
SCHEMBL7423864 0.80 REN (0.45) CTSDCASP3CASP7MAOBITGB3
SCHEMBL7418157 0.80 REN (0.45) CTSDCASP3CASP7ITGB3ITGA2B
SCHEMBL8736216 0.80 CTSD (0.53) CTSDITGB3ITGA2B
SCHEMBL7416869 0.79 MME (0.43) CTSDCASP3CASP7ITGB3ITGA2B
SCHEMBL8366184 0.79 CTSD (0.43) CTSDCASP3CASP7
SCHEMBL8366182 0.79 CTSD (0.43) CTSDCASP3CASP7
SCHEMBL7420320 0.77 REN (0.50)

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
EP-0717731-B1 DIFLUORO STATONE ANTIVIRAL ANALOGS MERRELL PHARMA INC (US) 1999-04-21 EP claimed