SCHEMBL4598744

SCHEMBL4598744

CCCCc1c(C)ccc(C(N)=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL5803205 0.91 NOS2 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9781027 0.83 MEN1 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28436765 0.81 MEN1 (0.45) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL27556126 0.79 CYP3A4 (0.46) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL27702319 0.79 NOS2 (0.41) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL4301700 0.79 GCGR (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28927012 0.77 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2488526 0.77 MEN1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29074022 0.77 MEN1 (0.50) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL8780461 0.77 MEN1 (0.50) MEN1KMT2AMAPTLMNACYP3A4

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-1910274-A1 PHENYL COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP disclosed
WO-2007015807-A1 PHENYL COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed