SCHEMBL10906559

SCHEMBL10906559

CCOC(=O)c1ncc2[nH]c3ccc(C(=O)OC(C)C)cc3c2c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 14/20 0.58
▸ GABRG2 P18507 14/20 0.58
▸ GABRB3 P28472 14/20 0.58
▸ GABRA5 P31644 14/20 0.58
▸ GABRA3 P34903 14/20 0.58
▸ GABRA2 P47869 13/20 0.58
▸ GABRA6 Q16445 8/20 0.58
▸ GABRP O00591 7/20 0.58
▸ GABRD O14764 7/20 0.58
▸ GABRB1 P18505 7/20 0.58
▸ GABRB2 P47870 7/20 0.58
▸ GABRA4 P48169 7/20 0.58
▸ GABRE P78334 7/20 0.58
▸ GABRG1 Q8N1C3 7/20 0.58
▸ GABRG3 Q99928 7/20 0.58
▸ GABRQ Q9UN88 7/20 0.58
▸ MAPT P10636 3/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL7381420 0.91 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10835388 0.87 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10903535 0.87 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10906116 0.86 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10376156 0.86 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10905450 0.86 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10905313 0.85 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10905035 0.84 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10631460 0.84 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10906614 0.84 GABRA1 (0.55) 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
Send feedback