SCHEMBL4560432

SCHEMBL4560432

CC(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.83
CNR2 P34972 4/20 0.53
KDM4E B2RXH2 1/20 0.46
ACHE P22303 1/20 0.46
HTR4 Q13639 3/20 0.45
HTR3A P46098 4/20 0.45
EGLN1 Q9GZT9 2/20 0.44
ROCK2 O75116 1/20 0.44

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
SCHEMBL4052482 0.91 CNR1 (1.00) CNR1CNR2KDM4EACHEHTR4
SCHEMBL13691214 0.91 CNR1 (1.00) CNR1CNR2KDM4EACHEHTR4
SCHEMBL29706145 0.91 CNR1 (1.00) CNR1CNR2KDM4EACHEHTR4
SCHEMBL30641101 0.90 CNR1 (0.80) CNR1CNR2KDM4EACHEHTR4
SCHEMBL13690922 0.87 CNR1 (0.69) CNR1CNR2KDM4EACHEHTR4
SCHEMBL4050497 0.87 CNR1 (0.69) CNR1CNR2KDM4EACHEHTR4
SCHEMBL4050776 0.87 CNR1 (0.75) CNR1CNR2KDM4EACHEHTR4
SCHEMBL4051085 0.86 CNR1 (0.80) CNR1CNR2KDM4EACHEHTR4
SCHEMBL4057063 0.86 CNR1 (0.74) CNR1CNR2KDM4EACHEHTR4
SCHEMBL13690891 0.85 CNR1 (0.73) CNR1CNR2KDM4EACHEHTR4

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