SCHEMBL21708545

SCHEMBL21708545

CCCC(F)OC(=O)CCC(C#N)c1c(F)cccc1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
ADRB1 P08588 2/20 0.30
ADRB2 P07550 1/20 0.30
ADRB3 P13945 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
F2R P25116 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
SCHEMBL21708723 0.92 RIPK1 (0.36) KMT2A
SCHEMBL21708524 0.90 CTSS (0.32) F2R
SCHEMBL21708609 0.90 KMT2A (0.34) KMT2AADRB1
SCHEMBL21708561 0.87 CCR1 (0.30) KMT2A
SCHEMBL21708707 0.87 CCR1 (0.36) KMT2ATAS1R3TAS1R1ADRB1ADRB2
SCHEMBL21708518 0.87 TAS1R3 (0.32) KMT2ATAS1R3TAS1R1
SCHEMBL21708678 0.85
SCHEMBL21708459 0.85 CCR1 (0.32) KMT2AADRB1
SCHEMBL21708563 0.83 MEN1 (0.31) KMT2A
SCHEMBL21708626 0.81 L3MBTL1 (0.30)

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