SCHEMBL20027619

SCHEMBL20027619

Cn1cc(C(=O)NC(Cc2ccccc2)C(O)C(N)=O)c(Br)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 4/20 0.44
▸ CNR1 P21554 4/20 0.41
▸ CNR2 P34972 4/20 0.41
▸ CCR1 P32246 6/20 0.39
▸ DCAF1 Q9Y4B6 1/20 0.39
▸ CAPN1 P07384 2/20 0.39
▸ ATM Q13315 1/20 0.38
▸ CTSV O60911 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37

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
SCHEMBL22885966 0.87 CTSV (0.48) PYGLCNR1CNR2CCR1DCAF1
SCHEMBL22886468 0.86 PYGL (0.44) PYGLCNR1CNR2CCR1DCAF1
SCHEMBL20028624 0.82 CAPN1 (0.56) CAPN1CTSS
SCHEMBL30133607 0.82 CAPN1 (0.56) CAPN1CTSS
SCHEMBL20028606 0.81 PYGL (0.43) PYGLCNR1CNR2CCR1DCAF1
SCHEMBL20027914 0.81 DCAF1 (0.48) PYGLDCAF1CAPN1
SCHEMBL20028168 0.81 PYGL (0.44) PYGLCNR1CNR2CCR1
SCHEMBL20027892 0.81 PYGL (0.44) PYGLCNR1CNR2CCR1
SCHEMBL22897214 0.79 DCAF1 (0.51) PYGLCNR1CNR2DCAF1CTSV
SCHEMBL20027617 0.79 PYGL (0.43) PYGLCNR1CNR2CCR1DCAF1

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-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 — — WO disclosed
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