SCHEMBL22904402

SCHEMBL22904402

Cc1cccc(C(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRD O14764 3/20 0.70
GABRA1 P14867 3/20 0.70
GABRB1 P18505 3/20 0.70
GABRA5 P31644 3/20 0.70
GABRA3 P34903 3/20 0.70
GABRA2 P47869 3/20 0.70
GABRB2 P47870 3/20 0.70
GABRA4 P48169 3/20 0.70
HPGD P15428 2/20 0.59
CHRM2 P08172 1/20 0.54
CHRM3 P20309 1/20 0.54
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD11B1 P28845 1/20 0.47
MGLL Q99685 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
SCHEMBL22904422 0.81 GABRD (0.46) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL7130857 0.80 HPGD (0.83) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL14238822 0.80 HPGD (0.83) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL17244442 0.79 HPGD (0.68) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL22904094 0.79 TSHR (0.57) HPGDHTTMGLL
SCHEMBL22904091 0.79 POLB (0.64) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL2667152 0.77 HPGD (0.90) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL1753626 0.77 HPGD (0.97) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL22904090 0.76 GABRD (0.50) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL14538230 0.76 HPGD (0.71) GABRDGABRA1GABRB1GABRA5GABRA3

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
WO-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed