SCHEMBL5787751

SCHEMBL5787751

CC(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2CC(O)CN2CCC(N3C(=O)CCc4cccc(Cl)c43)CC2)C1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.65
CD74 P04233 4/20 0.62

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
SCHEMBL5786803 0.92 CTSS (0.70) CTSSCD74
SCHEMBL5532495 0.89 CTSS (0.78) CTSSCD74
SCHEMBL5788070 0.88 CTSS (0.80) CTSSCD74
SCHEMBL5530537 0.86 CTSS (0.79) CTSSCD74
SCHEMBL5541032 0.84 CTSS (0.69) CTSSCD74
SCHEMBL5536316 0.82 CTSS (0.86) CTSS
SCHEMBL5538477 0.82 CTSS (0.71) CTSSCD74
SCHEMBL5534916 0.81 CTSS (0.83) CTSSCD74
SCHEMBL5532976 0.80 CTSS (0.82) CTSSCD74
SCHEMBL4718217 0.80 CTSS (0.80) CTSSCD74

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-1309593-B1 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2006-03-15 EP claimed