SCHEMBL9233002

SCHEMBL9233002

CC(C)(C)OC(=O)NCC1(NCc2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPFFR1 Q9GZQ6 10/20 0.68
▸ NPFFR2 Q9Y5X5 10/20 0.68
▸ SIGMAR1 Q99720 3/20 0.45
▸ OPRK1 P41145 2/20 0.45
▸ IDO1 P14902 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ DRD2 P14416 1/20 0.43

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
SCHEMBL2348786 0.84 NPFFR1 (0.64) NPFFR1NPFFR2SIGMAR1IDO1CYP2D6
SCHEMBL14728238 0.84 NPFFR1 (0.64) NPFFR1NPFFR2SIGMAR1IDO1CYP2D6
SCHEMBL13320953 0.82 NPFFR1 (0.62) NPFFR1NPFFR2SIGMAR1DRD2
SCHEMBL6635524 0.82 NPFFR1 (0.62) NPFFR1NPFFR2SIGMAR1OPRK1IDO1
SCHEMBL22050090 0.82 NPFFR1 (0.62) NPFFR1NPFFR2SIGMAR1IDO1CYP2D6
SCHEMBL23070812 0.80 NPFFR1 (0.60) NPFFR1NPFFR2SIGMAR1
SCHEMBL16926455 0.80 NPFFR1 (0.60) NPFFR1NPFFR2SIGMAR1OPRK1
SCHEMBL4511211 0.80 NPFFR1 (0.59) NPFFR1NPFFR2SIGMAR1IDO1CYP2D6
SCHEMBL23268368 0.80 NPFFR1 (0.59) NPFFR1NPFFR2SIGMAR1IDO1CYP2D6
SCHEMBL2281940 0.80 NPFFR1 (0.59) NPFFR1NPFFR2SIGMAR1IDO1CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0677522-A1 8-METHOXYQUINOLONECARBOXYLIC ACID DERIVATIVE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-10-18 — — EP disclosed
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