SCHEMBL2669261

SCHEMBL2669261

CNc1ccc(F)cc1C(=O)NC(CC1CCCCC1)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.45
▸ CTSL P07711 1/20 0.44
▸ GCK P35557 1/20 0.44
▸ PYGL P06737 1/20 0.42
▸ USP30 Q70CQ3 5/20 0.41
▸ PPM1D O15297 1/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ CTSS P25774 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GRN P28799 1/20 0.39
▸ SORT1 Q99523 1/20 0.39

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
SCHEMBL2669063 0.93 CTSL (0.47) CTSLGCKPYGLUSP30CTSS
SCHEMBL2669306 0.88 F10 (0.46) F10CTSLGCKPYGLCTSS
SCHEMBL2669228 0.87 CTSL (0.46) CTSLGCKPYGLUSP30CTSS
SCHEMBL2669291 0.81 SMN1; SMN2 (0.45) CTSLGCKPYGLUSP30PPM1D
SCHEMBL2669154 0.80 CTSL (0.43) CTSLGCKUSP30PPM1DCTSS
SCHEMBL9072816 0.80 CTSL (0.45) CTSLGCKPYGLUSP30PPM1D
SCHEMBL2669300 0.79 CTSL (0.43) CTSLGCKUSP30PPM1DCTSS
SCHEMBL2669288 0.78 GCK (0.53) GCK
SCHEMBL2669250 0.77 PSEN1 (0.44) CTSLGCKUSP30PPM1DCTSS
SCHEMBL9072791 0.77 CTSL (0.41) CTSLGCKUSP30PPM1DCTSS

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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