SCHEMBL31603370

SCHEMBL31603370

CC(C)(C)OC(=O)N1[C@H](CBr)C[C@H]1COC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNA7 P36544 3/20 0.47
CHRNA4 P43681 3/20 0.47
CHRNA5 P30532 2/20 0.47
ABCB1 P08183 1/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
CES2 O00748 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
DPP4 P27487 1/20 0.37
FOLH1 Q04609 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL31603568 0.89 CHRNB2 (0.48) CHRNB2CHRNA7CHRNA4CHRNA5ABCB1
SCHEMBL31603475 0.85 CHRNB2 (0.45) CHRNB2CHRNA7CHRNA4CHRNA5ABCB1
SCHEMBL25694133 0.84 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5ABCB1
SCHEMBL30223760 0.84 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5ABCB1
SCHEMBL25694061 0.79 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5ABCB1
SCHEMBL25694147 0.79 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5ABCB1
SCHEMBL5155694 0.79 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5ABCB1
SCHEMBL25895846 0.79 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5ABCB1
SCHEMBL2433304 0.79 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5ABCB1
SCHEMBL26604844 0.77 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5ABCB1

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-2025111582-A1 AZA-TETRACYCLIC OXAZEPINE INHIBITORS OF KRAS-G12D GENENTECH, INC. (US) 2025-05-30 WO disclosed