SCHEMBL21708459

SCHEMBL21708459

CCCC(F)OC(=O)CCC(C#N)c1cccc(F)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.32
PTGFR P43088 3/20 0.32
KMT2A Q03164 1/20 0.30
ADRB1 P08588 1/20 0.30
LMNA P02545 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
SCHEMBL21708707 0.89 CCR1 (0.36) CCR1KMT2AADRB1LMNA
SCHEMBL21708512 0.85 CCR1 (0.36) CCR1KMT2ALMNA
SCHEMBL21708545 0.85 KMT2A (0.33) KMT2AADRB1
SCHEMBL21708723 0.85 RIPK1 (0.36) KMT2ALMNA
SCHEMBL21708561 0.84 CCR1 (0.30) CCR1KMT2A
SCHEMBL21708518 0.82 TAS1R3 (0.32) KMT2A
SCHEMBL21708548 0.82 MEN1 (0.35) KMT2ALMNA
SCHEMBL21708464 0.81 PTGFR (0.35) PTGFR
SCHEMBL21656349 0.81 CTSS (0.35) CCR1PTGFRKMT2A
SCHEMBL21631958 0.80 PTGFR (0.39) CCR1PTGFRKMT2A

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