SCHEMBL9013863

SCHEMBL9013863

CC(C)(C)ON1CCC(Oc2ccc(N)cc2)CC1=C=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.38
HRH3 Q9Y5N1 7/20 0.35
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHEK2 O96017 1/20 0.32
CHRM3 P20309 2/20 0.31
CHRM2 P08172 1/20 0.31

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
SCHEMBL8094956 0.78 LIPG (0.38) GPR119HRH3
SCHEMBL8088578 0.78 EPHX2 (0.40) GPR119HRH3
SCHEMBL8089444 0.78 AR (0.46)
SCHEMBL8092927 0.77 EPHX2 (0.37) HRH3
SCHEMBL8088615 0.75 EPHX2 (0.36) GPR119HRH3
SCHEMBL7342953 0.75 OXTR (0.36) GPR119
SCHEMBL7342824 0.73 OXTR (0.40) GPR119
SCHEMBL7356525 0.73 HIF1A (0.34) GPR119HRH3
SCHEMBL7333661 0.72 OXTR (0.42) GPR119SMN1; SMN2
SCHEMBL5209322 0.72 CTSK (0.31)

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
US-5580883-A INHIBITING DEGENERATION AND NECROCYTOSIS OF CEREBRAL NERVE CELLS CAUSED BY OXIDATIVE STRESS INDUCING GLUTAMIC ACID IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-03 US disclosed
EP-0449195-A2 Aminobenzene compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-10-02 EP disclosed