SCHEMBL21708561

SCHEMBL21708561

CCCC(F)OC(=O)CCC(C#N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21708545 0.87 KMT2A (0.33) KMT2A
SCHEMBL21708563 0.87 MEN1 (0.31) MEN1KMT2A
SCHEMBL21708723 0.87 RIPK1 (0.36) MEN1KMT2A
SCHEMBL21708626 0.85 L3MBTL1 (0.30)
SCHEMBL21708459 0.84 CCR1 (0.32) CCR1KMT2A
SCHEMBL21708518 0.84 TAS1R3 (0.32) MEN1KMT2A
SCHEMBL21708678 0.82
SCHEMBL21708507 0.81 PTGFR (0.33) MEN1KMT2A
SCHEMBL21656112 0.80 CTSS (0.34) CCR1
SCHEMBL21708707 0.79 CCR1 (0.36) CCR1MEN1KMT2A

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
EP-3609870-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed