SCHEMBL4049865

SCHEMBL4049865

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.43
CNR1 P21554 9/20 0.43
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
CREBBP Q92793 1/20 0.33
GHSR Q92847 1/20 0.33
HTR3A P46098 1/20 0.32

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
SCHEMBL13690501 1.00 CNR2 (0.43) CNR2CNR1CTSVCTSLCTSB
SCHEMBL4050243 0.88 CNR1 (0.49) CNR2CNR1CTSVCTSLCTSB
SCHEMBL4052822 0.87 CNR1 (0.60) CNR2CNR1CTSVCTSLCTSB
SCHEMBL4049686 0.82 CNR1 (0.45) CNR2CNR1CREBBPHTR3A
SCHEMBL4055740 0.82 CNR1 (0.49) CNR2CNR1CTSVCTSLCTSB
SCHEMBL4059141 0.81 CNR1 (0.53) CNR2CNR1KDM4CCREBBPHTR3A
SCHEMBL4057565 0.81 CNR1 (0.43) CNR2CNR1HTR3A
SCHEMBL13690527 0.80 CNR1 (0.47) CNR2CNR1CTSLCTSBCTSS
SCHEMBL4055098 0.80 CNR2 (0.47) CNR2CNR1GHSRHTR3A
SCHEMBL13690903 0.80 CNR2 (0.47) CNR2CNR1GHSRHTR3A

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 claimed