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SCHEMBL4056274

SCHEMBL4056274

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCOCC2)c2ncccc12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.46
▸ CNR1 P21554 7/20 0.43
▸ CNR2 P34972 6/20 0.43
▸ HTR4 Q13639 4/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ NR3C1 P04150 1/20 0.39
▸ RET P07949 1/20 0.39
▸ GRM4 Q14833 5/20 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
SCHEMBL4056254 0.92 CNR1 (0.49) HTR3ACNR1CNR2NR3C1RET
SCHEMBL4052555 0.91 CNR1 (0.47) HTR3ACNR1CNR2HTR4NR3C1
SCHEMBL13690846 0.87 HTR3A (0.46) HTR3ACNR1CNR2HTR4CYP3A4
SCHEMBL4049658 0.87 HTR3A (0.46) HTR3ACNR1CNR2HTR4CYP3A4
SCHEMBL4053133 0.86 CNR1 (0.57) HTR3ACNR1CNR2HTR4CYP3A4
SCHEMBL13691257 0.86 CNR1 (0.57) HTR3ACNR1CNR2HTR4CYP3A4
SCHEMBL13691218 0.85 HTR3A (0.45) HTR3ACNR1CNR2HTR4CYP3A4
SCHEMBL4057853 0.85 HTR3A (0.45) HTR3ACNR1CNR2HTR4CYP3A4
SCHEMBL13690937 0.84 CNR1 (0.61) HTR3ACNR1CNR2HTR4CYP3A4
SCHEMBL13691217 0.83 CNR1 (0.58) HTR3ACNR1CNR2RET

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