SCHEMBL4055740

SCHEMBL4055740

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.49
CNR2 P34972 7/20 0.49
CTSL P07711 2/20 0.34
CTSV O60911 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CREBBP Q92793 1/20 0.32
GHSR Q92847 1/20 0.31

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
SCHEMBL4054772 0.91 CNR1 (0.48) CNR1CNR2CTSLCTSVCTSB
SCHEMBL4049369 0.91 CNR1 (0.48) CNR1CNR2
SCHEMBL4052822 0.90 CNR1 (0.60) CNR1CNR2CTSLCTSVCTSB
SCHEMBL4053834 0.89 CNR1 (0.62) CNR1CNR2
SCHEMBL4059339 0.89 CNR1 (0.62) CNR1CNR2
SCHEMBL4050243 0.87 CNR1 (0.49) CNR1CNR2CTSLCTSVCTSB
SCHEMBL4050224 0.86 CNR1 (0.64) CNR1CNR2
SCHEMBL4058132 0.86 CNR1 (0.48) CNR1CNR2CTSL
SCHEMBL13690621 0.86 CNR1 (0.48) CNR1CNR2CTSL
SCHEMBL4049686 0.85 CNR1 (0.45) CNR1CNR2CREBBP

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