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SCHEMBL4053133

SCHEMBL4053133

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCOCC2)c2ccccc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.57
▸ CNR2 P34972 4/20 0.52
▸ HTR4 Q13639 6/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HTR3A P46098 2/20 0.47
▸ ROCK1 Q13464 5/20 0.45
▸ ROCK2 O75116 3/20 0.45
▸ KCNH2 Q12809 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
SCHEMBL13691257 1.00 CNR1 (0.57) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4050831 0.91 CNR1 (0.64) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4050197 0.91 CNR1 (0.55) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4050497 0.90 CNR1 (0.69) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL13690922 0.90 CNR1 (0.69) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL13691251 0.89 CNR1 (0.52) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4056332 0.89 CNR1 (0.52) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4053265 0.89 CNR1 (0.54) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4052409 0.88 CNR1 (0.53) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4052156 0.88 CNR1 (0.44) CNR1CNR2HTR4CYP3A4HTR3A

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 3 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
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 — — WO disclosed