SCHEMBL29924375

SCHEMBL29924375

COc1cc(Cl)ccc1C1COc2cccc(C3CCNCC3)c2O1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.44
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 5/20 0.42
HTR1A P08908 4/20 0.42
SLC6A3 Q01959 4/20 0.42
HTR6 P50406 8/20 0.41
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
HTT P42858 1/20 0.39
WEE1 P30291 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL29149862 1.00 HTR2C (0.44) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL29924682 1.00 HTR2C (0.44) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL29149939 0.88 HTR2C (0.47) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL29924313 0.88 HTR2C (0.47) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL29149805 0.86 HTR1A (0.42) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL29924779 0.86 HTR1A (0.42) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL29149807 0.86 HTR1A (0.42) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL29924324 0.86 HTR1A (0.42) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL29149819 0.86 HTR1A (0.42) HTR2CSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL29149767 0.86 HTR2C (0.43) HTR2CSLC6A2SLC6A4HTR1ASLC6A3

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-2022228490-A1 POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2022-11-03 WO disclosed