SCHEMBL4047799

SCHEMBL4047799

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.61
CNR2 P34972 3/20 0.48
HTR4 Q13639 3/20 0.42
ACHE P22303 1/20 0.42
HTR3A P46098 6/20 0.41
ROCK2 O75116 3/20 0.41
SSTR4 P31391 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ROCK1 Q13464 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
SCHEMBL4050611 0.91 CNR1 (0.63) CNR1CNR2HTR4ACHEHTR3A
SCHEMBL4054508 0.91 CNR1 (0.63) CNR1CNR2HTR4ACHEHTR3A
SCHEMBL13691030 0.91 CNR1 (0.63) CNR1CNR2HTR4ACHEHTR3A
SCHEMBL4057048 0.90 CNR1 (0.61) CNR1CNR2HTR4ACHEHTR3A
SCHEMBL4048912 0.90 CNR1 (0.61) CNR1CNR2HTR4ACHEHTR3A
SCHEMBL13690936 0.90 CNR1 (0.61) CNR1CNR2HTR4ACHEHTR3A
SCHEMBL4049454 0.88 CNR1 (0.63) CNR1CNR2HTR4ACHEHTR3A
SCHEMBL13690661 0.87 CNR1 (0.59) CNR1CNR2HTR4ACHEHTR3A
SCHEMBL29019177 0.87 CNR1 (0.67) CNR1CNR2HTR4ACHEHTR3A
SCHEMBL30353005 0.87 CNR1 (0.67) CNR1CNR2HTR4ACHEHTR3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed