SCHEMBL9358376

SCHEMBL9358376

N#Cc1ccc2c(c1)CC1OC1O2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
DPP4 P27487 4/20 0.33
PTGS2 P35354 1/20 0.33
KDM1A O60341 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
ABCB1 P08183 1/20 0.32
P2RY6 Q15077 1/20 0.32

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
SCHEMBL10440186 0.86 PNMT (0.33) PNMTDRD2DRD3PTGS2MALT1
SCHEMBL8688431 0.77 TDP1 (0.51) PNMTDRD2DRD3ABCB1
SCHEMBL908349 0.75 DRD2 (0.38) DRD2DRD3DPP4
SCHEMBL31006601 0.73 PNMT (0.48) PNMTDRD2DRD3DPP4PTGS2
SCHEMBL5133781 0.72 CHRM2 (0.45)
Water SCHEMBL167691 0.72 CHRM2 (0.45)
SCHEMBL2152471 0.71 POLB (0.45) DRD2DRD3PTGS2MALT1ABCB1
SCHEMBL8899294 0.71 PNMT (0.37) PNMTDRD2DRD3DPP4PTGS2
SCHEMBL8996648 0.70 HRH3 (0.39) PNMTDRD2DRD3
SCHEMBL36938 0.70 CHRM2 (0.46)

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
EP-0126367-B1 Chroman and chromene derivatives BEECHAM GROUP PLC (GB) 1994-10-12 EP disclosed
US-4575511-A Anti-hypertensive chromanol derivatives BEECHAM GROUP P.L.C. (GB) 1986-03-11 US disclosed
EP-0126367-A1 Chroman and chromene derivatives BEECHAM GROUP PLC (GB) 1984-11-28 EP disclosed