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Sugi Predict / Compounds / SCHEMBL4059110

SCHEMBL4059110

SCHEMBL4059110

CC(C)(C)[C@H](NC(=O)c1nn(CC(=O)N2CCCCC2)c2ccccc12)C(=O)NCCO

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.49
▸ CNR2 P34972 2/20 0.49
▸ HTR3A P46098 6/20 0.41
▸ CFD P00746 6/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL13690557 1.00 CNR1 (0.49) CNR1CNR2HTR3ACFDKDM4E
SCHEMBL13691043 0.91 CNR1 (0.47) CNR1CNR2HTR3ACFD
SCHEMBL13690554 0.89 CNR1 (0.52) CNR1CNR2HTR3ACFDKDM4E
SCHEMBL4048907 0.89 CNR1 (0.52) CNR1CNR2HTR3ACFDKDM4E
SCHEMBL13690544 0.87 CNR1 (0.49) CNR1CNR2HTR3ACFDKDM4E
SCHEMBL4053493 0.87 CNR1 (0.49) CNR1CNR2HTR3ACFDKDM4E
SCHEMBL13690564 0.86 CNR1 (0.65) CNR1CNR2HTR3ACFDKDM4E
SCHEMBL13691012 0.85 CNR1 (0.48) CNR1CNR2HTR3ACFDKDM4E
SCHEMBL4049459 0.85 CNR1 (0.48) CNR1CNR2HTR3ACFDKDM4E
SCHEMBL13690593 0.84 CNR1 (0.47) CNR1CNR2HTR3ACFDCYP2C9

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