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Sugi Predict / Compounds / SCHEMBL4052409

SCHEMBL4052409

SCHEMBL4052409

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.53
▸ CNR2 P34972 5/20 0.49
▸ HTR4 Q13639 5/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HTR3A P46098 2/20 0.44
▸ ROCK1 Q13464 5/20 0.42
▸ ROCK2 O75116 3/20 0.42
▸ KCNH2 Q12809 1/20 0.39
▸ SSTR4 P31391 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
SCHEMBL4055157 0.89 CNR1 (0.52) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4053265 0.89 CNR1 (0.54) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL13690681 0.88 ROCK1 (0.44) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4048235 0.88 ROCK1 (0.44) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL13691253 0.88 CNR1 (0.50) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4050619 0.88 CNR1 (0.50) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL4053133 0.88 CNR1 (0.57) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL13691257 0.88 CNR1 (0.57) CNR1CNR2HTR4CYP3A4HTR3A
SCHEMBL13691141 0.88 CNR1 (0.54) CNR1CNR2HTR4HTR3AROCK2
SCHEMBL4050831 0.87 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