SCHEMBL8111801

SCHEMBL8111801

NC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCC(c3ccccc3C(F)(F)F)C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 17/20 0.51
▸ CTSK P43235 2/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ PROKR1 Q8TCW9 1/20 0.43

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
SCHEMBL8117173 0.79 CTSK (0.50) CTSKCTSBCTSS
SCHEMBL8105816 0.76 CTSK (0.62) CTSKCTSBCTSS
SCHEMBL27914166 0.76 RBP4 (0.70) RBP4CYP2D6CYP2C19
SCHEMBL27896680 0.76 RBP4 (0.70) RBP4CYP2D6CYP2C19
SCHEMBL8096763 0.74 CTSK (0.62) CTSKCTSBCTSS
SCHEMBL8111806 0.71 CTSK (0.57) CTSKCTSBCTSS
SCHEMBL22394182 0.71 RBP4 (0.74) RBP4CYP2D6CYP2C19
SCHEMBL8109815 0.71 CTSK (0.69) CTSKCTSBCTSS
SCHEMBL8105988 0.71 CTSK (0.69) CTSKCTSBCTSS
SCHEMBL8100339 0.71 CTSK (0.57) CTSKCTSBCTSS

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
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