SCHEMBL29058265

SCHEMBL29058265

Cn1c(C[C@H](NC(=O)CCCl)C(=O)NC2(C#N)CC2)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 11/20 0.47
▸ CTSS P25774 7/20 0.46
▸ CTSK P43235 6/20 0.46
▸ CTSB P07858 5/20 0.46
▸ HTT P42858 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RECQL P46063 1/20 0.41

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
SCHEMBL30559560 1.00 CTSL (0.47) CTSLCTSSCTSKCTSBHTT
SCHEMBL29058266 1.00 CTSL (0.47) CTSLCTSSCTSKCTSBHTT
SCHEMBL27120878 0.89 CTSL (0.52) CTSLCTSSCTSKCTSB
SCHEMBL26976535 0.89 CTSL (0.52) CTSLCTSSCTSKCTSB
SCHEMBL27128117 0.84 CTSL (0.53) CTSLCTSSCTSKCTSB
SCHEMBL26973941 0.84 CTSL (0.53) CTSLCTSSCTSKCTSB
SCHEMBL30714790 0.84 CTSL (0.55) CTSLCTSSCTSKCTSB
SCHEMBL30559524 0.82 CTSC (0.52) CTSLCTSSCTSKCTSBTSHR
SCHEMBL27121562 0.82 CTSC (0.52) CTSLCTSSCTSKCTSBTSHR
SCHEMBL26976610 0.82 CTSC (0.52) CTSLCTSSCTSKCTSBTSHR

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
CN-116589425-A Cathepsin L inhibitors 百放英库医药科技(北京)有限公司 2023-08-15 — — CN disclosed
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