SCHEMBL4057247

SCHEMBL4057247

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.59
CNR2 P34972 8/20 0.59
KDM4E B2RXH2 1/20 0.40
HTR3A P46098 3/20 0.40
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CFD P00746 2/20 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
SCHEMBL4057865 0.97 CNR1 (0.60) CNR1CNR2KDM4EHTR3AHDAC1
SCHEMBL13691281 0.89 CNR1 (0.64) CNR1CNR2KDM4EHTR3AHDAC1
SCHEMBL4048639 0.88 CNR1 (0.58) CNR1CNR2KDM4EHTR3AHDAC1
SCHEMBL13691286 0.88 CNR1 (0.65) CNR1CNR2KDM4EHTR3ACFD
SCHEMBL4051382 0.88 CNR1 (0.45) CNR1CNR2
SCHEMBL13691319 0.88 CNR1 (0.45) CNR1CNR2
SCHEMBL13690609 0.88 CNR1 (0.56) CNR1CNR2KDM4EHTR3AHDAC1
SCHEMBL4048068 0.88 CNR1 (0.56) CNR1CNR2KDM4EHTR3AHDAC1
SCHEMBL13690931 0.88 CNR1 (0.64) CNR1CNR2KDM4EHTR3AHDAC1
SCHEMBL4058671 0.88 CNR1 (0.64) CNR1CNR2KDM4EHTR3AHDAC1

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