SCHEMBL4053063

SCHEMBL4053063

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

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.77
CNR2 P34972 6/20 0.66
ACHE P22303 1/20 0.44
HTR4 Q13639 2/20 0.44
HTR3A P46098 3/20 0.44
ROCK2 O75116 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SSTR4 P31391 1/20 0.42

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
SCHEMBL30473233 1.00 CNR1 (0.77) CNR1CNR2ACHEHTR4HTR3A
SCHEMBL29993194 1.00 CNR1 (0.77) CNR1CNR2ACHEHTR4HTR3A
SCHEMBL13690922 0.91 CNR1 (0.69) CNR1CNR2ACHEHTR4HTR3A
SCHEMBL4050497 0.91 CNR1 (0.69) CNR1CNR2ACHEHTR4HTR3A
SCHEMBL13691040 0.90 CNR1 (0.64) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL4050831 0.90 CNR1 (0.64) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL13690637 0.90 CNR1 (0.63) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL4056649 0.89 CNR1 (0.67) CNR1CNR2ACHEHTR4HTR3A
SCHEMBL29019177 0.89 CNR1 (0.67) CNR1CNR2ACHEHTR4HTR3A
SCHEMBL30353005 0.89 CNR1 (0.67) CNR1CNR2ACHEHTR4HTR3A

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 claimed