Sugi Predict

Sugi Predict / Compounds / SCHEMBL4057048

SCHEMBL4057048

SCHEMBL4057048

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(=O)NCCCO

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.61
▸ CNR2 P34972 3/20 0.50
▸ ROCK2 O75116 5/20 0.43
▸ HTR4 Q13639 2/20 0.42
▸ HTR3A P46098 5/20 0.42
▸ SSTR4 P31391 1/20 0.40
▸ ACHE P22303 1/20 0.40

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
SCHEMBL13691030 0.95 CNR1 (0.63) CNR1CNR2ROCK2HTR4HTR3A
SCHEMBL4050611 0.95 CNR1 (0.63) CNR1CNR2ROCK2HTR4HTR3A
SCHEMBL4054508 0.95 CNR1 (0.63) CNR1CNR2ROCK2HTR4HTR3A
SCHEMBL4052516 0.92 CNR1 (0.51) CNR1CNR2ROCK2HTR4HTR3A
SCHEMBL4059054 0.90 CNR1 (0.51) CNR1CNR2ROCK2HTR4HTR3A
SCHEMBL13691013 0.90 CNR1 (0.51) CNR1CNR2ROCK2HTR4HTR3A
SCHEMBL4048912 0.90 CNR1 (0.61) CNR1CNR2ROCK2HTR4HTR3A
SCHEMBL13690936 0.90 CNR1 (0.61) CNR1CNR2ROCK2HTR4HTR3A
SCHEMBL4047799 0.90 CNR1 (0.61) CNR1CNR2ROCK2HTR4HTR3A
SCHEMBL13690891 0.89 CNR1 (0.73) CNR1CNR2ROCK2HTR4HTR3A

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