SCHEMBL21756934

SCHEMBL21756934

CCc1c(F)cc(I)cc1OC(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.31

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
SCHEMBL26025734 0.82 RIPK1 (0.31)
SCHEMBL21756951 0.75 GABRA1 (0.31)
SCHEMBL8371348 0.71 DHODH (0.39) SLC6A4
SCHEMBL24460269 0.71 SLC6A4 (0.49) SLC6A4
SCHEMBL8180613 0.68 CSNK2A1 (0.41)
SCHEMBL30079214 0.67 GCGR (0.34)
SCHEMBL11916150 0.66 KCNQ3 (0.34)
SCHEMBL20625297 0.66 KCNQ3 (0.32)
SCHEMBL5240307 0.66 ACHE (0.38)
SCHEMBL15576311 0.66 RXRA (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 2 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
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