Sugi Predict

Sugi Predict / Compounds / SCHEMBL4056500

SCHEMBL4056500

SCHEMBL4056500

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.54
▸ CNR2 P34972 4/20 0.50
▸ HTR3A P46098 2/20 0.44
▸ HTR4 Q13639 4/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ROCK1 Q13464 5/20 0.42
▸ ROCK2 O75116 3/20 0.41

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
SCHEMBL13690579 1.00 CNR1 (0.54) CNR1CNR2HTR3AHTR4CYP3A4
SCHEMBL4048720 0.92 CNR1 (0.56) CNR1CNR2HTR3AHTR4CYP3A4
SCHEMBL4055157 0.91 CNR1 (0.52) CNR1CNR2HTR3AHTR4CYP3A4
SCHEMBL4052516 0.89 CNR1 (0.51) CNR1CNR2HTR3AHTR4CYP3A4
SCHEMBL13690758 0.89 CNR1 (0.55) CNR1CNR2HTR3AHTR4ROCK2
SCHEMBL4050831 0.88 CNR1 (0.64) CNR1CNR2HTR3AHTR4CYP3A4
SCHEMBL13691251 0.87 CNR1 (0.52) CNR1CNR2HTR3AHTR4CYP3A4
SCHEMBL4056332 0.87 CNR1 (0.52) CNR1CNR2HTR3AHTR4CYP3A4
SCHEMBL13691076 0.86 CNR1 (0.48) CNR1CNR2HTR3AHTR4CYP3A4
SCHEMBL4053265 0.85 CNR1 (0.54) CNR1CNR2HTR3AHTR4CYP3A4

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