SCHEMBL4056649

SCHEMBL4056649

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

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.67
CNR2 P34972 4/20 0.52
MMP1 P03956 6/20 0.45
MMP13 P45452 3/20 0.45
HTR4 Q13639 2/20 0.45
ROCK2 O75116 1/20 0.44
ACHE P22303 1/20 0.43
HTR3A P46098 2/20 0.43
SSTR4 P31391 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL4048901 0.91 CNR1 (0.65) CNR1CNR2HTR4ROCK2ACHE
SCHEMBL4050767 0.91 CNR1 (0.65) CNR1CNR2HTR4ROCK2ACHE
SCHEMBL4050497 0.90 CNR1 (0.69) CNR1CNR2HTR4ROCK2ACHE
SCHEMBL13690922 0.90 CNR1 (0.69) CNR1CNR2HTR4ROCK2ACHE
SCHEMBL4053063 0.89 CNR1 (0.77) CNR1CNR2HTR4ROCK2ACHE
SCHEMBL29993194 0.89 CNR1 (0.77) CNR1CNR2HTR4ROCK2ACHE
SCHEMBL30473233 0.89 CNR1 (0.77) CNR1CNR2HTR4ROCK2ACHE
SCHEMBL4050611 0.89 CNR1 (0.63) CNR1CNR2HTR4ROCK2ACHE
SCHEMBL4049454 0.89 CNR1 (0.63) CNR1CNR2HTR4ROCK2ACHE
SCHEMBL13691030 0.89 CNR1 (0.63) CNR1CNR2HTR4ROCK2ACHE

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