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SCHEMBL6689771

SCHEMBL6689771

O=C(NC[C@H](C(=O)NCCN1CCc2cc(F)ccc21)c1cccc(Cl)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 8/20 0.44
▸ CTSL P07711 4/20 0.44
▸ CTSK P43235 3/20 0.44
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SRPK1 Q96SB4 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL6694048 0.94 CTSS (0.45) CTSSCTSLCTSKCYP1A2CYP2C19
SCHEMBL6694457 0.93 CTSS (0.46) CTSSCTSLCTSKCYP1A2CYP2C19
SCHEMBL4796175 0.86 CTSS (0.49) CTSSCTSLCTSKCYP1A2CYP2C19
SCHEMBL6685724 0.86 CTSS (0.50) CTSSCTSLCTSKCYP1A2CYP2C19
SCHEMBL6688015 0.84 CTSS (0.52) CTSSCTSLCTSKCYP1A2CYP2C19
SCHEMBL4800442 0.84 CTSS (0.51) CTSSCTSLCTSKCYP1A2CYP2C19
SCHEMBL4800654 0.81 CTSS (0.52) CTSSCTSLCTSKCYP1A2CYP2C19
SCHEMBL4798178 0.81 CTSS (0.53) CTSSCTSLCTSKCYP1A2CYP2C19
SCHEMBL4801040 0.81 CTSS (0.57) CTSSCTSLCTSKCYP1A2CYP2C19
SCHEMBL4801431 0.80 CTSS (0.61) CTSSCTSLCTSKCYP1A2CYP2C19

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-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 — — WO disclosed