SCHEMBL29552182

SCHEMBL29552182

CC(C)(C)OC(=O)N1C=CC=CC1.IC1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PLAT P00750 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
NR1H2 P55055 1/20 0.30

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
Piperazine SCHEMBL28059508 0.88 PREP (0.33) PREPCHRM2CHRM1CHRM3KDM4E
SCHEMBL1838102 0.83 PREP (0.37) PREPCHRM2CHRM1CHRM3MAPT
SCHEMBL28856336 0.82 CHRM2 (0.38) PREPCHRM2CHRM1CHRM3MAPT
Hydrochloric Acid SCHEMBL28241841 0.82 PREP (0.36) PREPCHRM2CHRM1CHRM3MAPT
SCHEMBL30014423 0.80 GPR119 (0.31) PREPCHRM2CHRM1CHRM3NR1H2
SCHEMBL28113304 0.80 SIGMAR1 (0.32) NR1H2
SCHEMBL28222533 0.79 MAPK1 (0.35) PREPKDM4EMAPTTHRBNR1H2
SCHEMBL28223429 0.79 SIGMAR1 (0.32) NR1H2
SCHEMBL28099175 0.78 CHRM2 (0.31) PREPCHRM2CHRM1CHRM3
Pyrrole SCHEMBL28865869 0.77 GPR119 (0.32) PREPNR1H2

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-2022032484-A1 PYRIDAZINE-3-FORMAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 北京诺诚健华医药科技有限公司 2022-02-17 WO disclosed