SCHEMBL29249016

SCHEMBL29249016

CCCC(C#N)NC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.60
CTSL P07711 14/20 0.60
CTSK P43235 10/20 0.56
CTSB P07858 7/20 0.55
TACR1 P25103 1/20 0.53

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
SCHEMBL24853554 1.00 CTSS (0.60) CTSSCTSLCTSKCTSBTACR1
SCHEMBL16357709 0.92 CTSS (0.67) CTSSCTSLCTSKCTSBTACR1
SCHEMBL1186365 0.89 CTSS (0.60) CTSSCTSLCTSKCTSBTACR1
SCHEMBL24852467 0.89 CTSS (0.60) CTSSCTSLCTSKCTSBTACR1
SCHEMBL7785794 0.88 CTSS (0.55) CTSSCTSLCTSKCTSB
SCHEMBL6947033 0.86 TACR1 (0.53) CTSSCTSLCTSKCTSBTACR1
SCHEMBL8728480 0.86 CTSL (0.52) CTSSCTSLCTSKCTSBTACR1
SCHEMBL392814 0.85 CTSL (0.65) CTSSCTSLCTSKCTSBTACR1
SCHEMBL6318841 0.85 CTSL (0.65) CTSSCTSLCTSKCTSBTACR1
SCHEMBL6312394 0.85 CTSL (0.65) CTSSCTSLCTSKCTSBTACR1

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-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed