SCHEMBL19009443

SCHEMBL19009443

CCc1nc2c(CC)c(CC)c(CC)c(CC)c2nc1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRE P78334 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ GABRG1 Q8N1C3 1/20 0.33
▸ GABRG3 Q99928 1/20 0.33
▸ GABRQ Q9UN88 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32

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
SCHEMBL19009441 0.79 KDM4E (0.33) KDM4EPOLB
SCHEMBL6656229 0.75 GCGR (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8016425 0.73 MEN1 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19009439 0.69 — —
SCHEMBL18575692 0.69 HTT (0.32) KDM4EPOLBHTT
SCHEMBL1004361 0.69 — —
SCHEMBL19009440 0.69 GCGR (0.33) —
SCHEMBL11576926 0.67 TLR8 (0.32) KDM4EALDH1A1
SCHEMBL3437714 0.65 NQO2 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19009446 0.65 — —

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
US-20170179402-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 — — US disclosed
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