SCHEMBL31316850

SCHEMBL31316850

Cc1cccc2c1OCC[C@@H]2N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.50
ADRA2B P18089 1/20 0.50
ADRA1A P35348 1/20 0.50
MAP3K14 Q99558 1/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A4 P31645 2/20 0.41
HTR2C P28335 6/20 0.36
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 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
SCHEMBL14275635 1.00 ADRA2A (0.50) ADRA2AADRA2BADRA1AMAP3K14SLC6A2
SCHEMBL1266132 0.82 ADRA2A (0.50) ADRA2AADRA2BADRA1AHTR2CHTR2B
SCHEMBL1265344 0.82 ADRA2A (0.50) ADRA2AADRA2BADRA1AHTR2CHTR2B
SCHEMBL1265342 0.82 ADRA2A (0.50) ADRA2AADRA2BADRA1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL1266175 0.81 ADRA2A (0.49) ADRA2AADRA2BADRA1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL30563578 0.81 ADRA2A (0.49) ADRA2AADRA2BADRA1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL1266173 0.81 ADRA2A (0.49) ADRA2AADRA2BADRA1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL26962833 0.81 ADRA2A (0.49) ADRA2AADRA2BADRA1AHTR2CHTR2B
SCHEMBL11981386 0.80 ADRA2A (0.51) ADRA2AADRA2BADRA1AMAP3K14HTR2C
SCHEMBL16509662 0.80 ADRA2A (0.51) ADRA2AADRA2BADRA1AMAP3K14HTR2C

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-4743453-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION Pretzel Therapeutics, Inc. (US) 2026-05-20 EP disclosed
WO-2025015178-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-01-16 WO disclosed