SCHEMBL30782856

SCHEMBL30782856

ClC1CCOc2c(Br)cccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.50
ADRA2B P18089 3/20 0.50
ADRA1A P35348 3/20 0.50
ADRA2C P18825 2/20 0.50
HTR2B P41595 5/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR2C P28335 4/20 0.32
SLC6A2 P23975 2/20 0.31
HTR2A P28223 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM1A O60341 1/20 0.31
MAP3K14 Q99558 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
SCHEMBL25659973 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA1AADRA2CHTR2B
SCHEMBL25166562 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA1AADRA2CHTR2B
SCHEMBL4753561 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA1AADRA2CHTR2B
SCHEMBL23976381 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA1AADRA2CHTR2B
SCHEMBL29923638 0.75 ADRA2A (0.47) ADRA2AADRA2BADRA1AADRA2CHTR2B
SCHEMBL27214559 0.75 ADRA2A (0.47) ADRA2AADRA2BADRA1AADRA2CHTR2B
SCHEMBL2729067 0.75 ADRA2A (0.47) ADRA2AADRA2BADRA1AADRA2CHTR2B
SCHEMBL2729875 0.75 ADRA2A (0.47) ADRA2AADRA2BADRA1AADRA2CHTR2B
SCHEMBL31347606 0.74 ADRA2A (0.40) ADRA2AADRA2BADRA1AADRA2C
Hydrochloric Acid SCHEMBL30782876 0.73 ADRA2A (0.46) ADRA2AADRA2BADRA1AADRA2CHTR2B

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