SCHEMBL5404170

SCHEMBL5404170

C[C@@]1(C(N)=O)CN(CCN(C(=O)[CH]CC2CCCCC2)C2CC2)c2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
OPRK1 P41145 1/20 0.39
CTSS P25774 15/20 0.38
CTSL P07711 2/20 0.35
CTSK P43235 2/20 0.35
AMPD2 Q01433 2/20 0.31

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
SCHEMBL3023911 0.76 CTSS (0.50) OPRM1OPRL1OPRK1CTSSCTSL
SCHEMBL6685463 0.69 CTSS (0.43) OPRM1OPRL1OPRK1CTSSCTSL
SCHEMBL3007945 0.67 CTSS (0.55) OPRM1OPRL1OPRK1CTSSCTSL
SCHEMBL4801079 0.67 CTSS (0.55) OPRM1OPRL1OPRK1CTSSCTSL
SCHEMBL6685915 0.60 RAB9A (0.35) OPRL1
SCHEMBL6685923 0.60 RAB9A (0.38) CTSSCTSLCTSK
SCHEMBL4798400 0.59 CTSS (0.55) CTSSCTSLCTSK
SCHEMBL3024687 0.59 CTSS (0.39) OPRM1OPRL1OPRK1CTSSCTSL
SCHEMBL4799862 0.59 CTSS (0.39) OPRM1OPRL1OPRK1CTSSCTSL
SCHEMBL6690873 0.59 RAB9A (0.40) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP claimed
JP-2007502836-A 2007-02-15 JP claimed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP claimed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 WO claimed
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP disclosed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 WO disclosed