SCHEMBL2669285

SCHEMBL2669285

CNc1ccc(F)cc1C(=O)NC(CC1CCCCC1)C(=O)Nc1ncc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.36
▸ CTSS P25774 3/20 0.36
▸ CTSK P43235 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ USP30 Q70CQ3 2/20 0.35
▸ F2RL1 P55085 3/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ GCK P35557 1/20 0.34

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
SCHEMBL2669307 0.89 OGA (0.46) CTSLOGA
SCHEMBL2669256 0.88 CTSS (0.46) CTSLCTSSCTSKF2RL1GCK
SCHEMBL9072816 0.84 CTSL (0.45) CTSLCTSSCTSKUSP30F2RL1
SCHEMBL9072817 0.83 OGA (0.44) CTSLCTSSCTSKGCKOGA
SCHEMBL2669291 0.81 SMN1; SMN2 (0.45) CTSLCTSSCTSKUSP30F2RL1
SCHEMBL9072791 0.81 CTSL (0.41) CTSLCTSSCTSKUSP30F2RL1
SCHEMBL2669300 0.81 CTSL (0.43) CTSLCTSSCTSKUSP30F2RL1
SCHEMBL2669260 0.81 PSEN1 (0.43) CTSLCTSSCTSKGCKOGA
SCHEMBL2669154 0.80 CTSL (0.43) CTSLCTSSCTSKUSP30F2RL1
SCHEMBL2669262 0.79 PSEN1 (0.51) CTSLCTSSCTSKF2RL1OGA

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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