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SCHEMBL4048415

SCHEMBL4048415

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

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.72
▸ CNR2 P34972 3/20 0.55
▸ HTR4 Q13639 6/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HTR3A P46098 2/20 0.44
▸ ROCK1 Q13464 4/20 0.44
▸ ROCK2 O75116 3/20 0.44
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL13691219 1.00 CNR1 (0.72) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL13690513 0.93 CNR1 (0.82) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4050996 0.86 CNR1 (0.54) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL13691209 0.86 CNR1 (0.62) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4050831 0.85 CNR1 (0.64) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4052482 0.83 CNR1 (1.00) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL29706145 0.83 CNR1 (1.00) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL13691214 0.83 CNR1 (1.00) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL4048909 0.82 CNR1 (0.64) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL13690537 0.82 CNR1 (0.64) 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 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