SCHEMBL21756926

SCHEMBL21756926

CC(C)c1c(F)cc(I)cc1CO

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
GCGR P47871 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
SCHEMBL21756927 0.81 GABRA1 (0.31) GABRA1GABRB1GABRB2
SCHEMBL21756924 0.80 GABRA1 (0.41) GABRA1GABRB1GABRB2
SCHEMBL21756947 0.79 SLC6A4 (0.32)
SCHEMBL21756932 0.79 ALDH1A1 (0.38)
SCHEMBL21756925 0.79 PRKCE (0.33)
SCHEMBL22380037 0.78 GCGR (0.36) GABRA1GABRB1GCGR
SCHEMBL3062133 0.76 SLC6A4 (0.31)
SCHEMBL21756949 0.75 GABRA1 (0.43) GABRA1GABRB1GABRB2
SCHEMBL25850988 0.74 PKM (0.45)
SCHEMBL23635802 0.73 DPP4 (0.35)

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
WO-2020039092-A2 NOVEL AROMATIC MOLECULES Xeniopro GmbH (DE) 2020-02-27 WO disclosed
WO-2020039094-A1 PHENOXY(HETERO)ARYL ETHERS OF ANTIPROLIFERATIVE ACTIVITY Xeniopro GmbH (DE) 2020-02-27 WO disclosed
WO-2020039088-A2 NOVEL COMPOUNDS Xeniopro GmbH (DE) 2020-02-27 WO disclosed
US-9403829-B2 Pharmaceutical compositions of 7-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-((trans)-4-methoxycyclohexyl)-3,4-dihydropyrazino [2,3-b]pyrazin-2(1H)-one, a solid form thereof and methods of their use SIGNAL PHARMACEUTICALS, LLC (US) 2016-08-02 US disclosed