SCHEMBL7854609

SCHEMBL7854609

NC1Cc2cc(CO)c(CO)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.56
MAPT P10636 2/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
KDM4E B2RXH2 1/20 0.41
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
OPRK1 P41145 1/20 0.34
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 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
SCHEMBL29406232 0.76 FYN (0.50) FYNMAPTNFKB1THPOHIF1A
Hydrochloric Acid SCHEMBL866127 0.74 FYN (0.48) FYNMAPTNFKB1THPOHIF1A
Hydrochloric Acid SCHEMBL29405454 0.74 FYN (0.48) FYNMAPTNFKB1THPOHIF1A
SCHEMBL865884 0.71 FYN (0.45) FYNMAPTNFKB1THPOHIF1A
SCHEMBL19983360 0.71 GRIA1 (0.39) MAPTKDM4EGRIA1GRIA2GRIA3
SCHEMBL23519694 0.69 FYN (0.59) FYNMAPTNFKB1THPOHIF1A
SCHEMBL15630255 0.69 FYN (0.42) FYNMAPTNFKB1THPOHIF1A
SCHEMBL4388677 0.67 FYN (0.56) FYNMAPTNFKB1THPOHIF1A
SCHEMBL29992505 0.67 FYN (0.56) FYNMAPTNFKB1THPOHIF1A
SCHEMBL16140056 0.67 GRIA1 (0.41) MAPTKDM4EGRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807101-B1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS UPJOHN CO (US) 2001-06-13 EP disclosed
US-5936000-A 2-aminoindans as selective dopamine D3 ligands PHARMACIA & UPJOHN COMPANY (US) 1999-08-10 US disclosed
EP-0807101-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1997-11-19 EP disclosed
WO-1996023760-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1996-08-08 WO disclosed