SCHEMBL20113995

SCHEMBL20113995

CCCCc1cc(CN(C)C(C)=O)c(C=O)nc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 4/20 0.35
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL20113696 0.80 MEN1 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20113649 0.71 MEN1 (0.37) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL20113637 0.66 GRM1 (0.32)
SCHEMBL20113675 0.65 ALDH1A1 (0.34) ALDH1A1
SCHEMBL20113653 0.62 CCR1 (0.38) MEN1ALDH1A1GAAHPGDKMT2A
SCHEMBL9337584 0.61 MAPT (0.37) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL27947021 0.61 TLR8 (0.61) ALDH1A1GLAGAAHPGDKMT2A
SCHEMBL28207251 0.58 TYR (0.38) KDM4EMEN1ALDH1A1GLAGAA
SCHEMBL28429499 0.57 TYR (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11682168 0.57 TYR (0.50) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060563-B1 RING-FUSED BICYCLIC PYRIDYL DERIVATIVES AS FGFR4 INHIBITORS NOVARTIS AG (CH) 2018-05-02 EP disclosed