SCHEMBL4052970

SCHEMBL4052970

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.58
CNR2 P34972 5/20 0.58
HTR3A P46098 5/20 0.40
ROCK1 Q13464 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP30 Q70CQ3 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL4050074 0.97 CNR1 (0.57) CNR1CNR2HTR3AROCK1KDM4E
SCHEMBL4058950 0.91 CNR1 (0.59) CNR1CNR2HTR3AROCK1KDM4E
SCHEMBL4053153 0.91 CNR1 (0.59) CNR1CNR2HTR3AROCK1KDM4E
SCHEMBL4050521 0.90 CNR1 (0.58) CNR1CNR2HTR3AROCK1KDM4E
SCHEMBL13690908 0.89 CNR1 (0.62) CNR1CNR2HTR3AROCK1KDM4E
SCHEMBL4048639 0.89 CNR1 (0.58) CNR1CNR2HTR3AROCK1KDM4E
SCHEMBL13690913 0.89 CNR1 (0.58) CNR1CNR2HTR3AROCK1KDM4E
SCHEMBL4050950 0.89 CNR1 (0.58) CNR1CNR2HTR3AROCK1KDM4E
SCHEMBL13690974 0.88 CNR1 (0.58) CNR1CNR2HTR3AROCK1KDM4E
SCHEMBL4051603 0.88 CNR1 (0.58) CNR1CNR2HTR3AROCK1KDM4E

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