SCHEMBL4050243

SCHEMBL4050243

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.49
CNR2 P34972 7/20 0.49
GHSR Q92847 1/20 0.35
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
KDM4C Q9H3R0 2/20 0.35
CREBBP Q92793 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4052822 0.92 CNR1 (0.60) CNR1CNR2CTSVCTSLCTSB
SCHEMBL4051609 0.90 CNR1 (0.48) CNR1CNR2GHSRKDM4C
SCHEMBL13690956 0.90 CNR1 (0.48) CNR1CNR2GHSRKDM4C
SCHEMBL13690501 0.88 CNR2 (0.43) CNR1CNR2GHSRCTSVCTSL
SCHEMBL4049865 0.88 CNR2 (0.43) CNR1CNR2GHSRCTSVCTSL
SCHEMBL4058671 0.87 CNR1 (0.64) CNR1CNR2GHSR
SCHEMBL13690931 0.87 CNR1 (0.64) CNR1CNR2GHSR
SCHEMBL4049686 0.87 CNR1 (0.45) CNR1CNR2CREBBP
SCHEMBL4055740 0.87 CNR1 (0.49) CNR1CNR2GHSRCTSVCTSL
SCHEMBL4057565 0.85 CNR1 (0.43) 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