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SCHEMBL4050831

SCHEMBL4050831

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 11/20 0.64
▸ CNR2 P34972 8/20 0.64
▸ HTR4 Q13639 4/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ ROCK1 Q13464 3/20 0.45
▸ ROCK2 O75116 1/20 0.44

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 0.91 CNR1 (0.57) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4053133 0.91 CNR1 (0.57) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL29993194 0.90 CNR1 (0.77) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL30473233 0.90 CNR1 (0.77) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL4053063 0.90 CNR1 (0.77) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL4050197 0.90 CNR1 (0.55) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4048720 0.89 CNR1 (0.56) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL13691040 0.89 CNR1 (0.64) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL4056764 0.88 CNR1 (0.49) CNR1CNR2HTR4CYP3A4ROCK1
SCHEMBL13690992 0.88 CNR1 (0.49) CNR1CNR2HTR4CYP3A4ROCK1

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