SCHEMBL4058950

SCHEMBL4058950

CC(C)(C)[C@H](NC(=O)c1nn(CCCC#N)c2ccccc12)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.59
CNR2 P34972 6/20 0.59
KDM4E B2RXH2 2/20 0.40
HTR3A P46098 2/20 0.40
ROCK1 Q13464 1/20 0.37
USP30 Q70CQ3 1/20 0.37
PTGER4 P35408 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4050950 0.97 CNR1 (0.58) CNR1CNR2KDM4EHTR3AROCK1
SCHEMBL13690913 0.97 CNR1 (0.58) CNR1CNR2KDM4EHTR3AROCK1
SCHEMBL4050224 0.92 CNR1 (0.64) CNR1CNR2KDM4EHTR3A
SCHEMBL4052970 0.91 CNR1 (0.58) CNR1CNR2KDM4EHTR3AROCK1
SCHEMBL4059339 0.89 CNR1 (0.62) CNR1CNR2KDM4EHTR3A
SCHEMBL4053834 0.89 CNR1 (0.62) CNR1CNR2KDM4EHTR3A
SCHEMBL4053153 0.89 CNR1 (0.59) CNR1CNR2KDM4EHTR3AROCK1
SCHEMBL4050074 0.89 CNR1 (0.57) CNR1CNR2KDM4EHTR3AROCK1
SCHEMBL4050521 0.88 CNR1 (0.58) CNR1CNR2KDM4EHTR3AROCK1
SCHEMBL4048639 0.86 CNR1 (0.58) CNR1CNR2KDM4EHTR3AROCK1

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