SCHEMBL9584762

SCHEMBL9584762

CCc1cccc2[nH]c3cnc(C(=O)c4ccccc4)c(CC)c3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 14/20 0.45
▸ GABRG2 P18507 14/20 0.45
▸ GABRB3 P28472 14/20 0.45
▸ GABRA5 P31644 14/20 0.45
▸ GABRA3 P34903 14/20 0.45
▸ GABRA2 P47869 12/20 0.45
▸ GABRA6 Q16445 7/20 0.45
▸ GABRB2 P47870 6/20 0.45
▸ GABRP O00591 5/20 0.45
▸ GABRD O14764 5/20 0.45
▸ GABRB1 P18505 5/20 0.45
▸ GABRA4 P48169 5/20 0.45
▸ GABRE P78334 5/20 0.45
▸ GABRG1 Q8N1C3 5/20 0.45
▸ GABRG3 Q99928 5/20 0.45
▸ GABRQ Q9UN88 5/20 0.45
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL9584639 0.82 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075671 0.78 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9076036 0.77 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9583395 0.77 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9584197 0.77 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9752631 0.74 GABRA1 (0.76) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29507266 0.74 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9074973 0.73 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31623843 0.73 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075847 0.72 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3

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-5254563-A Bioavailability; central nervous system disorders SCHERING AKTIENGESELLSCHAFT (DE) 1993-10-19 — — US disclosed
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