SCHEMBL28630490

SCHEMBL28630490

C[C@H]([C@H]1CC[C@H]2C3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C)N(C)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 16/20 0.50
GABRB2 P47870 16/20 0.50
GABRD O14764 13/20 0.50
GABRA4 P48169 13/20 0.50
GABRP O00591 10/20 0.50
GABRB1 P18505 10/20 0.50
GABRG2 P18507 10/20 0.50
GABRB3 P28472 10/20 0.50
GABRA5 P31644 10/20 0.50
GABRA3 P34903 10/20 0.50
GABRA2 P47869 10/20 0.50
GABRE P78334 10/20 0.50
GABRA6 Q16445 10/20 0.50
GABRG1 Q8N1C3 10/20 0.50
GABRG3 Q99928 10/20 0.50
GABRQ Q9UN88 10/20 0.50
ACHE P22303 3/20 0.47
BCHE P06276 3/20 0.46
EBP Q15125 1/20 0.44
DHCR7 Q9UBM7 1/20 0.44

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
SCHEMBL26494438 1.00 GABRA1 (0.50) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL28630492 1.00 GABRA1 (0.50) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL22072577 1.00 GABRA1 (0.50) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL25052039 1.00 GABRA1 (0.50) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL22033310 1.00 GABRA1 (0.50) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL25050361 1.00 GABRA1 (0.50) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL22033309 1.00 GABRA1 (0.50) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL25050363 1.00 GABRA1 (0.50) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL22072575 1.00 GABRA1 (0.50) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL26494441 1.00 GABRA1 (0.50) GABRA1GABRB2GABRDGABRA4GABRP

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-113383004-A Neuroactive steroids and methods of use thereof 萨奇治疗股份有限公司 2021-09-10 CN disclosed