SCHEMBL31001707

SCHEMBL31001707

CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3cnccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
GABRE P78334 1/20 0.56
GABRA6 Q16445 1/20 0.56
GABRG1 Q8N1C3 1/20 0.56
GABRG3 Q99928 1/20 0.56
GABRQ Q9UN88 1/20 0.56
GRM1 Q13255 7/20 0.52
GRM5 P41594 7/20 0.51
DGAT2 Q96PD7 1/20 0.50
JAK1 P23458 1/20 0.50

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
SCHEMBL12326386 1.00 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4773456 0.92 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7916133 0.85 MAPT (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31285862 0.85 MAPT (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16801801 0.85 HTR2A (0.47) HTR6MAPT
SCHEMBL14875491 0.84 HTR2A (0.48) HTR6MAPT
SCHEMBL19972495 0.84 DGAT2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30861910 0.84 DGAT2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19972559 0.82 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6381977 0.82 GABRP (0.56) 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-118359610-A MENIN-MLL interaction inhibitors 生命医药有限责任公司 2024-07-19 CN disclosed