SCHEMBL26224872

SCHEMBL26224872

C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(N)=O)CC[C@@H]32)C1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.79
GABRB2 P47870 20/20 0.79
GABRD O14764 19/20 0.79
GABRA4 P48169 19/20 0.79
GABRP O00591 18/20 0.79
GABRB1 P18505 18/20 0.79
GABRG2 P18507 18/20 0.79
GABRB3 P28472 18/20 0.79
GABRA5 P31644 18/20 0.79
GABRA3 P34903 18/20 0.79
GABRA2 P47869 18/20 0.79
GABRE P78334 18/20 0.79
GABRA6 Q16445 18/20 0.79
GABRG1 Q8N1C3 18/20 0.79
GABRG3 Q99928 18/20 0.79
GABRQ Q9UN88 18/20 0.79

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
SCHEMBL16190892 0.88 GABRA1 (0.81) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL14871146 0.88 GABRP (1.00) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL21091386 0.88 GABRP (1.00) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL23346583 0.88 GABRP (1.00) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL19650972 0.88 GABRP (1.00) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL23468933 0.88 GABRP (1.00) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL3124023 0.88 GABRP (1.00) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL23344276 0.88 GABRP (1.00) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL22516226 0.88 GABRA1 (0.81) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL17792263 0.88 GABRA1 (0.81) 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
EP-3481845-B1 C17, C20, AND C21 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS INC (US) 2023-09-13 EP disclosed