SCHEMBL2669256

SCHEMBL2669256

CNc1ccc(F)cc1C(=O)NC(CC1CCCCC1)C(=O)Nc1ncc(C(=O)N2CCOCC2)s1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 13/20 0.46
▸ CTSL P07711 5/20 0.46
▸ CTSK P43235 3/20 0.46
▸ F2RL1 P55085 1/20 0.40
▸ PSEN1 P49768 2/20 0.38
▸ PSEN2 P49810 2/20 0.38
▸ APH1B Q8WW43 2/20 0.38
▸ NCSTN Q92542 2/20 0.38
▸ APH1A Q96BI3 2/20 0.38
▸ PSENEN Q9NZ42 2/20 0.38
▸ GCK P35557 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ CTSB P07858 1/20 0.37

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
SCHEMBL2669285 0.88 CTSL (0.36) CTSSCTSLCTSKF2RL1GCK
SCHEMBL2669262 0.88 PSEN1 (0.51) CTSSCTSLCTSKF2RL1PSEN1
SCHEMBL9072816 0.87 CTSL (0.45) CTSSCTSLCTSKF2RL1GCK
SCHEMBL2669154 0.84 CTSL (0.43) CTSSCTSLCTSKF2RL1PSEN1
SCHEMBL2669291 0.84 SMN1; SMN2 (0.45) CTSSCTSLCTSKF2RL1GCK
SCHEMBL9072791 0.84 CTSL (0.41) CTSSCTSLCTSKF2RL1GCK
SCHEMBL2669300 0.83 CTSL (0.43) CTSSCTSLCTSKF2RL1GCK
SCHEMBL9072817 0.83 OGA (0.44) CTSSCTSLCTSKPSEN1PSEN2
SCHEMBL2669260 0.82 PSEN1 (0.43) CTSSCTSLCTSKPSEN1PSEN2
SCHEMBL2669250 0.81 PSEN1 (0.44) CTSSCTSLCTSKF2RL1PSEN1

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-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 — — WO disclosed
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