SCHEMBL20534952

SCHEMBL20534952

CC(CCC(=O)O)c1c(Cl)ccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 3/20 0.41
FFAR4 Q5NUL3 3/20 0.40
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
GPR17 Q13304 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34

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
SCHEMBL20534568 0.82 KDM4E (0.42) PTGFRFFAR4KDM4E
SCHEMBL20534596 0.81 FFAR4 (0.41) PTGFRFFAR4GABRPGABRDGABRA1
SCHEMBL21632069 0.79 PTGFR (0.43) PTGFRTSHRGPR17CYP1A2
SCHEMBL21632095 0.78 PTGFR (0.37) PTGFRFFAR4KDM4EGPR17FABP4
SCHEMBL20535701 0.76 FFAR4 (0.43) PTGFRFFAR4TSHRGABRPGABRD
SCHEMBL22905071 0.71 PDE2A (0.34) KDM4ETSHRPSEN1PSEN2APH1B
SCHEMBL29443097 0.71 PDE2A (0.34) KDM4ETSHRPSEN1PSEN2APH1B
SCHEMBL13748950 0.70 MET (0.36) KDM4ETSHR
SCHEMBL9081205 0.70 USP5 (0.47) TSHRCYP1A2USP5
SCHEMBL20535645 0.70 PTGFR (0.42) PTGFRKDM4EGABRPGABRDGABRA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
EP-3609870-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
WO-2018189011-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-10-18 WO disclosed
WO-2018189012-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-10-18 WO disclosed