SCHEMBL11263288

SCHEMBL11263288

CCc1cccc2c1C(=O)N1CCC[C@H]1c1c(C(=O)O)ncn1-2

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.60
GABRG2 P18507 9/20 0.60
GABRB3 P28472 9/20 0.60
GABRA5 P31644 9/20 0.60
GABRA3 P34903 9/20 0.60
GABRA2 P47869 8/20 0.60
GABRA6 Q16445 6/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.49
PMP22 Q01453 1/20 0.49
GABRA4 P48169 2/20 0.49

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
SCHEMBL11265279 0.94 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10629894 0.88 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7264142 0.88 GABRG2 (0.79) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7328484 0.86 GABRG2 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7304650 0.86 GABRG2 (0.76) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8768403 0.86 GABRG2 (0.76) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10811227 0.86 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10805526 0.86 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10808364 0.86 GABRG2 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11258423 0.85 GABRG2 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4353827-A ANTICONVULSIVE, ANXIOLYTIC HOFFMANN-LA ROCHE INC. (US) 1982-10-12 US claimed
US-4353827-A ANTICONVULSIVE, ANXIOLYTIC HOFFMANN-LA ROCHE INC. (US) 1982-10-12 US disclosed