SCHEMBL6609448

SCHEMBL6609448

[CH2]CN(C)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.46
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ HTR2B P41595 2/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34

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
SCHEMBL31634803 0.87 PNMT (0.45) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL8474155 0.81 PNMT (0.51) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL26981184 0.81 PNMT (0.41) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL8473291 0.80 PNMT (0.54) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL8473288 0.80 PNMT (0.54) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL1830397 0.80 PNMT (0.57) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL30940320 0.80 PNMT (0.43) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL6022733 0.79 ITGB3 (0.44) PNMTRAB9ANPC1MAPTKMT2A
SCHEMBL29168371 0.79 CTSK (0.40) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL6022774 0.79 ITGB3 (0.44) PNMTRAB9ANPC1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 — — EP claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 — — WO claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 — — EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 — — WO claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 — — EP disclosed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 — — EP disclosed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 — — WO disclosed
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