SCHEMBL8088198

SCHEMBL8088198

O=C(O)C1CNc2ccc(O)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
ESR2 Q92731 4/20 0.42
HDAC8 Q9BY41 6/20 0.38
ESR1 P03372 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL7555698 0.79 HDAC8 (0.46) HDAC8KDM4EMAPT
SCHEMBL28038780 0.78 GAA (0.54) HDAC8BRD4CREBBPMAPTGABRP
SCHEMBL8562595 0.78 GAA (0.54) HDAC8BRD4CREBBPMAPTGABRP
SCHEMBL924219 0.78 GAA (0.54) HDAC8BRD4CREBBPMAPTGABRP
SCHEMBL30288898 0.78 GAA (0.54) HDAC8BRD4CREBBPMAPTGABRP
SCHEMBL29463686 0.78 GAA (0.54) HDAC8BRD4CREBBPMAPTGABRP
SCHEMBL28114454 0.77 GAA (0.53) HDAC8BRD4CREBBPMAPT
SCHEMBL9370418 0.75 DRD2 (0.46) DRD2DRD4ESR2
SCHEMBL29012624 0.75 GABRP (0.38) CHRNB2CHRNA4KDM4EMAPTGABRP
SCHEMBL13202969 0.73 GAA (0.62) DRD2DRD4ESR2ESR1MAPT

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-0823425-B1 Process for the preparation of an enantiopure tetrahydroquinoline-carboxylic acid ARCHIMICA SPA (IT) 2000-10-18 EP disclosed
US-5905155-A Process for the preparation of an optically pure tetrahydroquinoline carboxylic acid ARCHIMICA SPA (IT) 1999-05-18 US disclosed
EP-0823425-A1 Process for the preparation of an optically pure tetrahydroquinoline-carboxylic acid Archimica S.p.A. (IT) 1998-02-11 EP disclosed