SCHEMBL4049645

SCHEMBL4049645

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

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.62
CNR2 P34972 10/20 0.62
KDM4E B2RXH2 1/20 0.44
HTR3A P46098 2/20 0.41

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 0.90 CNR1 (0.64) CNR1CNR2KDM4EHTR3A
SCHEMBL4058671 0.90 CNR1 (0.64) CNR1CNR2KDM4EHTR3A
SCHEMBL4054847 0.89 CNR1 (0.78) CNR1CNR2KDM4EHTR3A
SCHEMBL31052992 0.88 CNR1 (0.65) CNR1CNR2KDM4EHTR3A
SCHEMBL30258887 0.88 CNR1 (0.65) CNR1CNR2KDM4EHTR3A
SCHEMBL30641079 0.87 CNR1 (0.67) CNR1CNR2HTR3A
SCHEMBL29993181 0.87 CNR1 (0.67) CNR1CNR2HTR3A
SCHEMBL4057370 0.87 CNR1 (0.47) CNR1CNR2
SCHEMBL4050795 0.86 CNR1 (0.80) CNR1CNR2KDM4EHTR3A
SCHEMBL4057247 0.86 CNR1 (0.59) CNR1CNR2KDM4EHTR3A

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