SCHEMBL9072817

SCHEMBL9072817

CNc1ccc(F)cc1C(=O)NC(CC1CCCCC1)C(=O)Nc1ncc(CN2CCN(C(C)=O)CC2)s1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 14/20 0.44
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ GCK P35557 1/20 0.41
▸ CTSL P07711 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ OPRK1 P41145 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38

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
SCHEMBL2669260 0.94 PSEN1 (0.43) OGAPSEN1PSEN2APH1BNCSTN
SCHEMBL2669262 0.92 PSEN1 (0.51) OGAPSEN1PSEN2APH1BNCSTN
SCHEMBL2669307 0.91 OGA (0.46) OGAPSEN1PSEN2APH1BNCSTN
SCHEMBL2669154 0.87 CTSL (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2669291 0.84 SMN1; SMN2 (0.45) GCKCTSLSMN1; SMN2CTSSCTSK
SCHEMBL2669250 0.84 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2669300 0.83 CTSL (0.43) GCKCTSLCTSSCTSK
SCHEMBL2669256 0.83 CTSS (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2669285 0.83 CTSL (0.36) OGAGCKCTSLCTSSCTSK
SCHEMBL9072816 0.83 CTSL (0.45) GCKCTSLCTSSCTSK

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
Send feedback