SCHEMBL31077662

SCHEMBL31077662

COc1ccc2[nH]cc(C(=O)C(=O)Cl)c2c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 3/20 0.41
▸ GABRD O14764 3/20 0.41
▸ GABRA1 P14867 3/20 0.41
▸ GABRB1 P18505 3/20 0.41
▸ GABRG2 P18507 3/20 0.41
▸ GABRB3 P28472 3/20 0.41
▸ GABRA5 P31644 3/20 0.41
▸ GABRA3 P34903 3/20 0.41
▸ GABRA2 P47869 3/20 0.41
▸ GABRB2 P47870 3/20 0.41
▸ GABRA4 P48169 3/20 0.41
▸ GABRE P78334 3/20 0.41
▸ GABRA6 Q16445 3/20 0.41
▸ GABRG1 Q8N1C3 3/20 0.41
▸ GABRG3 Q99928 3/20 0.41
▸ GABRQ Q9UN88 3/20 0.41
▸ NR4A2 P43354 4/20 0.40
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ PRKAB2 O43741 1/20 0.38

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
SCHEMBL25289183 1.00 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25423742 0.86 HTR1A (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17417724 0.84 PRKAB2 (0.46) NR4A2MTNR1AMTNR1BPRKAB2PRKAG1
SCHEMBL25747852 0.83 MAPK14 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31077729 0.83 MAPK14 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24995079 0.81 HTR2A (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25425896 0.80 NR4A2 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25436706 0.79 ALDH1A1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25747864 0.79 HTR1A (0.35) NR4A2MTNR1AMTNR1BLMNAMAPT
SCHEMBL25424327 0.77 NR4A2 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118715204-A Compounds of formula (I) 普赛洛私人有限公司 2024-09-27 — — CN disclosed
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