SCHEMBL29837040

SCHEMBL29837040

C[C@@H](N)c1oc2ccc(F)cc2c(=O)c1-c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 8/20 0.51
▸ GABRD O14764 8/20 0.51
▸ GABRA1 P14867 8/20 0.51
▸ GABRB1 P18505 8/20 0.51
▸ GABRG2 P18507 8/20 0.51
▸ GABRB3 P28472 8/20 0.51
▸ GABRA5 P31644 8/20 0.51
▸ GABRA3 P34903 8/20 0.51
▸ GABRA2 P47869 8/20 0.51
▸ GABRB2 P47870 8/20 0.51
▸ GABRA4 P48169 8/20 0.51
▸ GABRE P78334 8/20 0.51
▸ GABRA6 Q16445 8/20 0.51
▸ GABRG1 Q8N1C3 8/20 0.51
▸ GABRG3 Q99928 8/20 0.51
▸ GABRQ Q9UN88 8/20 0.51
▸ PIK3CD O00329 9/20 0.49
▸ PIK3CG P48736 4/20 0.49
▸ PIK3R2 O00459 2/20 0.49
▸ PIK3R1 P27986 1/20 0.47

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
SCHEMBL28815080 1.00 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28815081 1.00 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15528299 0.91 PIK3CD (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16584769 0.91 PIK3CD (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16589442 0.91 PIK3CD (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16629036 0.91 PIK3CD (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16619365 0.91 PIK3CD (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15599897 0.88 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15528283 0.88 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16459025 0.88 GABRP (0.52) 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
CN-114891005-B Preparation process of Wupalision p-toluenesulfonate 武汉九州钰民医药科技有限公司 2024-01-19 — — CN disclosed
CN-114891005-A Preparation process of laparis p-toluenesulfonate 武汉九州钰民医药科技有限公司 2022-08-12 — — CN disclosed
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