SCHEMBL30782887

SCHEMBL30782887

NCC1OCc2c(-c3ccnc(C(F)(F)F)c3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
IDO1 P14902 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
LOX P28300 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP14 Q460N5 1/20 0.37
PARP10 Q53GL7 1/20 0.37
TIPARP Q7Z3E1 1/20 0.37
PARP16 Q8N5Y8 1/20 0.37
PARP11 Q9NR21 1/20 0.37
NOTUM Q6P988 1/20 0.36
SYK P43405 1/20 0.34
USP1 O94782 2/20 0.33
WDR48 Q8TAF3 2/20 0.33
ALOX5AP P20292 1/20 0.33

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
Hydrochloric Acid SCHEMBL30782857 0.99 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL30782877 0.88 DRD1 (0.43) IDO1LOXL2LOXPARP15PARP14
Hydrochloric Acid SCHEMBL30782894 0.88 DRD1 (0.43) IDO1LOXL2LOXPARP15PARP14
Hydrochloric Acid SCHEMBL30782925 0.85 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL30782863 0.82 LOXL2 (0.39) IDO1LOXL2LOXPARP15PARP14
SCHEMBL30782835 0.81 USP1 (0.39) IDO1PARP15PARP14PARP10TIPARP
SCHEMBL20700296 0.79 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL20700254 0.79 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL20700257 0.79 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL23148196 0.78 ADRA2A (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4593954-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI Drug Discovery LLC (US) 2025-08-06 EP disclosed
WO-2024073383-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2024-04-04 WO disclosed