SCHEMBL7855072

SCHEMBL7855072

NC1Cc2cc(O)cc(O)c2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.56
DYRK1A Q13627 4/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
OPRK1 P41145 1/20 0.43
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
KDM4E B2RXH2 1/20 0.41
SYNJ2 O15056 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 3/20 0.35

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
SCHEMBL24650802 0.76 FYN (0.42) FYNDRD2DRD3OPRK1MAPT
SCHEMBL24650358 0.76 FYN (0.47) FYNDYRK1AMAPTNFKB1THPO
SCHEMBL24650892 0.72 MEN1 (0.41) FYNDRD2DRD3OPRK1NFKB1
SCHEMBL24650961 0.72 FYN (0.52) FYNDRD2DRD3OPRK1MAPT
SCHEMBL8070791 0.72 DRD2 (0.56) FYNDYRK1ADRD2DRD3OPRK1
Hydrochloric Acid SCHEMBL5889350 0.71 DRD2 (0.54) FYNDYRK1ADRD2DRD3OPRK1
Hydrochloric Acid SCHEMBL8071206 0.71 DRD2 (0.54) FYNDYRK1ADRD2DRD3OPRK1
Hydrochloric Acid SCHEMBL5889372 0.71 DRD2 (0.54) FYNDYRK1ADRD2DRD3OPRK1
SCHEMBL24650532 0.70 FYN (0.41) FYNHIF1ACA1CA2
SCHEMBL387649 0.70 DRD2 (0.71) FYNDRD2DRD3OPRK1MAPT

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 8 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
EP-0712387-B1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS UPJOHN CO (US) 1999-12-08 EP disclosed
US-5936000-A 2-aminoindans as selective dopamine D3 ligands PHARMACIA & UPJOHN COMPANY (US) 1999-08-10 US disclosed
US-5708018-A 2-aminoindans as selective dopamine D3 ligands PHARMACIA & UPJOHN COMPANY (US) 1998-01-13 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
EP-0712387-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1996-05-22 EP disclosed
WO-1995004713-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS THE UPJOHN COMPANY (US) 1995-02-16 WO disclosed