SCHEMBL8615225

SCHEMBL8615225

CCCCc1cnc(C(N)=O)c(C)c1CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
IKBKB O14920 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL28653164 0.78 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11822431 0.78 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11825671 0.78 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9317705 0.76 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29739658 0.73 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31591383 0.73 HRH3 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9589800 0.72 IKBKB (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13771966 0.71 LMNA (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3807627 0.70 PRKCI (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11042558 0.70 KDM4E (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5826161-A Process for the selective separation of actinides (III) and lanthanides (III) COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1998-10-20 US claimed
US-5826161-A Process for the selective separation of actinides (III) and lanthanides (III) COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1998-10-20 US disclosed