SCHEMBL30140271

SCHEMBL30140271

CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc([N+](=O)[O-])cc2F)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.57
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
PDE4B Q07343 3/20 0.48
PIK3CD O00329 5/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
PDE4D Q08499 3/20 0.44
PDE4A P27815 2/20 0.44
PDE4C Q08493 2/20 0.44
USP30 Q70CQ3 1/20 0.41
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL13419621 1.00 GPR119 (0.57) GPR119ALDH1A1LMNAMAPTPDE4B
SCHEMBL13419624 0.94 GPR119 (0.51) GPR119ALDH1A1LMNAMAPTPDE4B
SCHEMBL31216608 0.94 GPR119 (0.64) GPR119ALDH1A1LMNAMAPTPDE4B
SCHEMBL31216598 0.94 GPR119 (0.64) GPR119ALDH1A1LMNAMAPTPDE4B
SCHEMBL2255441 0.94 GPR119 (0.64) GPR119ALDH1A1LMNAMAPTPDE4B
SCHEMBL16980642 0.92 GPR119 (0.50) GPR119ALDH1A1LMNAMAPTPDE4B
SCHEMBL16980512 0.92 GPR119 (0.50) GPR119ALDH1A1LMNAMAPTPDE4B
SCHEMBL12002916 0.92 GPR119 (0.51) GPR119ALDH1A1LMNAMAPTPDE4B
SCHEMBL30912375 0.89 ALDH1A1 (0.49) GPR119ALDH1A1LMNAMAPTPDE4B
SCHEMBL30962804 0.89 ALDH1A1 (0.49) GPR119ALDH1A1LMNAMAPTPDE4B

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-2022266426-A1 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed