Pyrrole

Pyrrole

SCHEMBL28865869

CC(C)(C)OC(=O)N1C=CC=CC1.c1cc[nH]c1

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.32
PREP P48147 1/20 0.32
MAPK1 P28482 1/20 0.32
CTSK P43235 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H2 P55055 1/20 0.31
BCHE P06276 1/20 0.31
STS P08842 1/20 0.30
PDK4 Q16654 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
SCHEMBL1838102 0.89 PREP (0.37) GPR119PREPCTSKUSP2SMN1; SMN2
Hydrochloric Acid SCHEMBL28241841 0.88 PREP (0.36) GPR119PREPCTSKUSP2SMN1; SMN2
SCHEMBL28856336 0.88 CHRM2 (0.38) GPR119PREPCTSKUSP2SMN1; SMN2
Piperazine SCHEMBL28059508 0.85 PREP (0.33) PREPMAPK1USP2SMN1; SMN2NR1H2
SCHEMBL28854569 0.79 NR1H2 (0.34) PREPUSP2SMN1; SMN2NR1H2
SCHEMBL28223429 0.79 SIGMAR1 (0.32) MAPK1CTSKUSP2SMN1; SMN2NR1H2
SCHEMBL28113304 0.78 SIGMAR1 (0.32) MAPK1NR1H2
SCHEMBL30733868 0.77 USP2 (0.33) PREPUSP2SMN1; SMN2
SCHEMBL29552182 0.77 PREP (0.34) PREPNR1H2
SCHEMBL28222533 0.76 MAPK1 (0.35) GPR119PREPMAPK1USP2SMN1; SMN2

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-104870442-B bicyclic heterocyclic compounds and their therapeutic use 阿斯特克斯治疗有限公司 2018-10-19 CN disclosed