SCHEMBL10905078

SCHEMBL10905078

CCOC(=O)c1ncc2[nH]c3ccc(I)cc3c2c1CC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 18/20 0.75
▸ GABRG2 P18507 18/20 0.75
▸ GABRB3 P28472 18/20 0.75
▸ GABRA5 P31644 18/20 0.75
▸ GABRA3 P34903 18/20 0.75
▸ GABRA2 P47869 15/20 0.75
▸ GABRA6 Q16445 9/20 0.68
▸ GABRA4 P48169 7/20 0.66
▸ GABRB2 P47870 6/20 0.66
▸ GABRP O00591 5/20 0.66
▸ GABRD O14764 5/20 0.66
▸ GABRB1 P18505 5/20 0.66
▸ GABRE P78334 5/20 0.66
▸ GABRG1 Q8N1C3 5/20 0.66
▸ GABRG3 Q99928 5/20 0.66
▸ GABRQ Q9UN88 5/20 0.66
▸ ALDH1A1 P00352 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.55

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
SCHEMBL10708438 0.90 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7374133 0.89 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10834607 0.89 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10417420 0.88 GABRA1 (0.84) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7380334 0.87 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7381916 0.87 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7380532 0.87 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7385011 0.87 GABRA1 (0.86) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7383744 0.87 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10627998 0.86 GABRA1 (0.74) 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-4600715-A CENTRAL NERVOUS SYSTEM SHERING AKTIENGESELLSCHAFT (DE) 1986-07-15 — — US disclosed
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