SCHEMBL26936556

SCHEMBL26936556

CN1Cc2cc(-c3ccc(CC(C#N)NC(=O)C4CNCCCO4)cc3)ccc2C1=O

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.69
▸ CTSK P43235 1/20 0.69
▸ KCNH2 Q12809 3/20 0.68

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
SCHEMBL24981575 0.89 CTSC (0.65) CTSCCTSKKCNH2
SCHEMBL29455616 0.89 CTSC (0.65) CTSCCTSKKCNH2
SCHEMBL28989323 0.89 CTSC (0.65) CTSCCTSKKCNH2
SCHEMBL24981551 0.89 CTSC (0.65) CTSCCTSKKCNH2
SCHEMBL28989324 0.89 CTSC (0.65) CTSCCTSKKCNH2
SCHEMBL25865607 0.85 CTSC (0.72) CTSCKCNH2
SCHEMBL31758469 0.84 CTSC (0.78) CTSCKCNH2
SCHEMBL31758515 0.84 CTSC (0.70) CTSCKCNH2
SCHEMBL25865396 0.84 CTSC (0.74) CTSCKCNH2
SCHEMBL24981708 0.83 CTSC (0.62) CTSCCTSKKCNH2

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
EP-4289827-A1 FUSED RING DERIVATIVES CONTAINING 1,4-OXAZEPANE Medshine Discovery Inc. (CN) 2023-12-13 — — EP disclosed
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