SCHEMBL21708588

SCHEMBL21708588

CCCC(F)OC(=O)CCC(C#N)c1cc(F)ccc1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KMT2A Q03164 1/20 0.33
SLC6A3 Q01959 1/20 0.31
PTGFR P43088 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE10A Q9Y233 2/20 0.30
MAPT P10636 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
SCHEMBL21708482 0.90 CES2 (0.33) FFAR1FFAR4KMT2AMAPT
SCHEMBL21708569 0.89 KMT2A (0.33) FFAR1FFAR4KMT2ASLC6A3PTGFR
SCHEMBL21708548 0.85 MEN1 (0.35) KMT2ASLC6A3SMN1; SMN2MAPT
SCHEMBL21708737 0.83 CES2 (0.33)
SCHEMBL21708517 0.81 PTGFR (0.35) FFAR1FFAR4SLC6A3PTGFRSMN1; SMN2
SCHEMBL21632072 0.81 FFAR1 (0.44) FFAR1FFAR4KMT2APTGFR
SCHEMBL21656308 0.81 FFAR1 (0.36) FFAR1FFAR4KMT2A
SCHEMBL21708707 0.81 CCR1 (0.36) KMT2A
SCHEMBL21708544 0.80 POLB (0.38) KMT2A
SCHEMBL21708512 0.80 CCR1 (0.36) KMT2ASMN1; SMN2

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