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SCHEMBL4050996

SCHEMBL4050996

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 10/20 0.54
▸ HTR3A P46098 2/20 0.45
▸ CNR2 P34972 6/20 0.42
▸ HTR4 Q13639 4/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ RET P07949 1/20 0.40
▸ GRM4 Q14833 3/20 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
SCHEMBL13690937 0.94 CNR1 (0.61) CNR1HTR3ACNR2HTR4CYP3A4
SCHEMBL13690935 0.87 CNR1 (0.47) CNR1HTR3ACNR2HTR4CYP3A4
SCHEMBL4059061 0.87 CNR1 (0.47) CNR1HTR3ACNR2HTR4CYP3A4
SCHEMBL4048415 0.86 CNR1 (0.72) CNR1HTR3ACNR2HTR4CYP3A4
SCHEMBL13691219 0.86 CNR1 (0.72) CNR1HTR3ACNR2HTR4CYP3A4
SCHEMBL4056254 0.86 CNR1 (0.49) CNR1HTR3ACNR2RETGRM4
SCHEMBL13691220 0.83 CNR1 (0.49) CNR1HTR3ACNR2HTR4RET
SCHEMBL4052547 0.82 CNR1 (0.51) CNR1HTR3ACNR2HTR4CYP3A4
SCHEMBL13690846 0.81 HTR3A (0.46) CNR1HTR3ACNR2HTR4CYP3A4
SCHEMBL4049658 0.81 HTR3A (0.46) CNR1HTR3ACNR2HTR4CYP3A4

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