SCHEMBL4058671

SCHEMBL4058671

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.64
CNR2 P34972 8/20 0.64
KDM4E B2RXH2 1/20 0.43
HTR3A P46098 2/20 0.42
GHSR Q92847 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13690931 1.00 CNR1 (0.64) CNR1CNR2KDM4EHTR3AGHSR
SCHEMBL4054847 0.91 CNR1 (0.78) CNR1CNR2KDM4EHTR3A
SCHEMBL4049645 0.90 CNR1 (0.62) CNR1CNR2KDM4EHTR3A
SCHEMBL13690913 0.89 CNR1 (0.58) CNR1CNR2KDM4EHTR3AHDAC1
SCHEMBL4050950 0.89 CNR1 (0.58) CNR1CNR2KDM4EHTR3AHDAC1
SCHEMBL4050795 0.88 CNR1 (0.80) CNR1CNR2KDM4EHTR3A
SCHEMBL31462484 0.88 CNR1 (0.67) CNR1CNR2KDM4EHTR3A
SCHEMBL13690958 0.88 CNR1 (0.70) CNR1CNR2KDM4EHTR3AHDAC1
SCHEMBL4057247 0.88 CNR1 (0.59) CNR1CNR2KDM4EHTR3AHDAC1
SCHEMBL31596313 0.88 CNR1 (0.82) CNR1CNR2KDM4EHTR3AMEN1

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