SCHEMBL29697606

SCHEMBL29697606

CC(C)(C)OC(=O)N1CCc2c(CCl)cc(F)cc2C1.CC(C)(C)OC(=O)N1CCc2c(CCl)cc(F)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
NR1H2 P55055 1/20 0.48
ADORA1 P30542 2/20 0.41
MAPK1 P28482 1/20 0.40
HPGDS O60760 1/20 0.40
MKNK1 Q9BUB5 5/20 0.40
MAPT P10636 2/20 0.39
P2RX3 P56373 2/20 0.38
DPP4 P27487 1/20 0.38
KDM4E B2RXH2 1/20 0.38
UCHL1 P09936 1/20 0.37
GPR119 Q8TDV5 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
SCHEMBL29390828 1.00 ESR2 (0.49) ESR2NR1H2ADORA1MAPK1HPGDS
SCHEMBL22993469 1.00 ESR2 (0.49) ESR2NR1H2ADORA1MAPK1HPGDS
SCHEMBL29388325 0.89 ESR2 (0.50) ESR2NR1H2ADORA1MAPK1HPGDS
SCHEMBL22993235 0.89 ESR2 (0.50) ESR2NR1H2ADORA1MAPK1HPGDS
SCHEMBL29586561 0.83 ESR2 (0.51) ESR2NR1H2ADORA1MAPK1HPGDS
SCHEMBL21326104 0.83 ESR2 (0.51) ESR2NR1H2ADORA1MAPK1HPGDS
SCHEMBL22993465 0.82 ESR2 (0.52) ESR2NR1H2ADORA1MAPK1HPGDS
SCHEMBL29391249 0.82 ESR2 (0.52) ESR2NR1H2ADORA1MAPK1HPGDS
SCHEMBL22981751 0.81 BTK (0.34) ESR2
SCHEMBL22993240 0.81 ESR2 (0.51) ESR2NR1H2ADORA1MAPK1HPGDS

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
EP-4010333-A1 PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-15 EP disclosed