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SCHEMBL4049658

SCHEMBL4049658

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.46
▸ CNR1 P21554 7/20 0.42
▸ CNR2 P34972 8/20 0.41
▸ MAPK8 P45983 1/20 0.39
▸ HTR4 Q13639 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ RET P07949 1/20 0.39
▸ GRM4 Q14833 2/20 0.38
▸ NR3C1 P04150 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
SCHEMBL13690846 1.00 HTR3A (0.46) HTR3ACNR1CNR2MAPK8HTR4
SCHEMBL13691218 0.94 HTR3A (0.45) HTR3ACNR1CNR2HTR4CYP3A4
SCHEMBL4057853 0.94 HTR3A (0.45) HTR3ACNR1CNR2HTR4CYP3A4
SCHEMBL4056274 0.87 HTR3A (0.46) HTR3ACNR1CNR2HTR4CYP3A4
SCHEMBL4056254 0.86 CNR1 (0.49) HTR3ACNR1CNR2RETGRM4
SCHEMBL4052555 0.86 CNR1 (0.47) HTR3ACNR1CNR2HTR4GRM4
SCHEMBL13690937 0.84 CNR1 (0.61) HTR3ACNR1CNR2HTR4CYP3A4
SCHEMBL4055002 0.81 HTR3A (0.43) HTR3ACNR1CNR2HTR4CYP3A4
SCHEMBL4050996 0.81 CNR1 (0.54) HTR3ACNR1CNR2HTR4CYP3A4
SCHEMBL4059061 0.80 CNR1 (0.47) HTR3ACNR1CNR2HTR4CYP3A4

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