SCHEMBL4049978

SCHEMBL4049978

CC(C)(C)[C@H](NC(=O)c1nn(CC(=O)c2ccc(C#N)cc2)c2ccccc12)C(=O)NCCO

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.47
CNR2 P34972 3/20 0.47
ELANE P08246 2/20 0.43
SCN9A Q15858 2/20 0.39
POLB P06746 1/20 0.38
PTGER4 P35408 2/20 0.36
EPHX2 P34913 1/20 0.36
HTR3A P46098 3/20 0.35
CFD P00746 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL4055410 0.89 CNR1 (0.50) CNR1CNR2ELANESCN9APOLB
SCHEMBL13691011 0.89 CNR1 (0.49) CNR1CNR2ELANEPOLBPTGER4
SCHEMBL4055245 0.89 CNR1 (0.49) CNR1CNR2ELANEPOLBPTGER4
SCHEMBL1219308 0.88 CNR1 (0.49) CNR1CNR2ELANESCN9APOLB
SCHEMBL13690980 0.87 CNR1 (0.47) CNR1CNR2SCN9APOLBPTGER4
SCHEMBL4059046 0.87 PTGER4 (0.48) CNR1CNR2POLBPTGER4HTR3A
SCHEMBL13691041 0.85 PTGER4 (0.50) CNR1CNR2SCN9APOLBPTGER4
SCHEMBL4058848 0.85 PTGER4 (0.50) CNR1CNR2SCN9APOLBPTGER4
SCHEMBL1214282 0.83 CNR1 (0.49) CNR1CNR2ELANESCN9APOLB
SCHEMBL1218709 0.82 CNR1 (0.44) CNR1CNR2ELANESCN9APTGER4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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