SCHEMBL4052822

SCHEMBL4052822

Cc1ccc2c(c1)c(C(=O)N[C@H](C(N)=O)C(C)(C)C)nn2CCCCC#N

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.60
CNR2 P34972 11/20 0.60
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL4050243 0.92 CNR1 (0.49) CNR1CNR2CTSVCTSLCTSB
SCHEMBL4056091 0.90 CNR1 (0.59) CNR1CNR2
SCHEMBL4055740 0.90 CNR1 (0.49) CNR1CNR2CTSVCTSLCTSB
SCHEMBL4054847 0.88 CNR1 (0.78) CNR1CNR2
SCHEMBL13690501 0.87 CNR2 (0.43) CNR1CNR2CTSVCTSLCTSB
SCHEMBL4049865 0.87 CNR2 (0.43) CNR1CNR2CTSVCTSLCTSB
SCHEMBL4049686 0.86 CNR1 (0.45) CNR1CNR2
SCHEMBL4059141 0.85 CNR1 (0.53) CNR1CNR2
SCHEMBL4057565 0.85 CNR1 (0.43) CNR1CNR2
SCHEMBL4050795 0.85 CNR1 (0.80) CNR1CNR2

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-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed