SCHEMBL9426432

SCHEMBL9426432

CCCCc1ccc2[nH]cc(C(=O)O)c(=O)c2c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.69
GABRB2 P47870 8/20 0.69
HTT P42858 1/20 0.60
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL17337999 0.96 GABRA1 (0.68) GABRA1GABRB2HTTKDM4E
SCHEMBL17337966 0.95 GABRA1 (0.67) GABRA1GABRB2HTTKDM4E
SCHEMBL4186490 0.87 KDM4E (0.57) GABRA1GABRB2HTTKDM4E
SCHEMBL396402 0.86 GABRA1 (0.73) GABRA1GABRB2HTTKDM4E
SCHEMBL17337950 0.86 GABRA1 (0.56) GABRA1GABRB2HTT
SCHEMBL17337963 0.84 KDM4E (0.56) GABRA1GABRB2HTTKDM4E
SCHEMBL3812183 0.82 HTT (0.52) GABRA1GABRB2HTTKDM4E
SCHEMBL17337938 0.81 HTR1A (0.54) GABRA1GABRB2
SCHEMBL18589522 0.81 GABRA1 (0.76) GABRA1GABRB2
SCHEMBL3812486 0.80 GABRA1 (0.53) GABRA1GABRB2HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154981-A1 DERIVATIVES OF 2H-PYRAZOLO[4,3-C]QUINOLIN-3(5H)-ONE AND USE THEREOF Université du Droit et de la Santé de Lille 2 (FR) 2017-04-19 EP disclosed
WO-2015189523-A1 DERIVATIVES OF 2H-PYRAZOLO[4,3-C]QUINOLIN-3(5H)-ONE AND USE THEREOF UNIVERSITE DU DROIT ET DE LA SANTE LILLE 2 (FR) 2015-12-17 WO disclosed
US-5362734-A Certain benzo-quinolizine compounds and derivatives thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-08 US disclosed
EP-0494978-A1 HETEROCYCLIC COMPOUNDS. WYETH JOHN & BROTHER LTD (GB) 1992-07-22 EP disclosed
WO-1991005783-A1 HETEROCYCLIC COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1991-05-02 WO disclosed