SCHEMBL4054945

SCHEMBL4054945

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCCCCC2)c2ccccc12)C(=O)NCC(N)=O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.67
CNR2 P34972 4/20 0.53
HTR4 Q13639 2/20 0.42
ROCK2 O75116 2/20 0.41
SSTR4 P31391 1/20 0.41
CFD P00746 1/20 0.41
HTR3A P46098 4/20 0.40
ACHE P22303 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL13691313 1.00 CNR1 (0.67) CNR1CNR2HTR4ROCK2SSTR4
SCHEMBL4051743 1.00 CNR1 (0.67) CNR1CNR2HTR4ROCK2SSTR4
SCHEMBL4049454 0.92 CNR1 (0.63) CNR1CNR2HTR4ROCK2SSTR4
SCHEMBL4056604 0.91 CNR1 (0.56) CNR1CNR2HTR4ROCK2SSTR4
SCHEMBL4048720 0.91 CNR1 (0.56) CNR1CNR2HTR4ROCK2HTR3A
SCHEMBL13690628 0.91 CNR1 (0.55) CNR1CNR2ROCK2SSTR4CFD
SCHEMBL13690975 0.90 CNR1 (0.56) CNR1CNR2HTR4ROCK2SSTR4
SCHEMBL29993194 0.89 CNR1 (0.77) CNR1CNR2HTR4ROCK2SSTR4
SCHEMBL30473233 0.89 CNR1 (0.77) CNR1CNR2HTR4ROCK2SSTR4
SCHEMBL4053063 0.89 CNR1 (0.77) CNR1CNR2HTR4ROCK2SSTR4

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