SCHEMBL24329503

SCHEMBL24329503

CN1CCC(c2cccc(O)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.44
QDPR P09417 2/20 0.44
DRD2 P14416 5/20 0.40
DRD4 P21917 5/20 0.40
HTR1A P08908 4/20 0.40
PARP1 P09874 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
THPO P40225 1/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1F P30939 1/20 0.38
KCNH2 Q12809 2/20 0.38
CNR2 P34972 2/20 0.38

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
SCHEMBL15141399 0.83 DRD2 (0.41) DRD2DRD4HTR1AKCNH2CNR2
SCHEMBL21016389 0.83 HTR1A (0.39) DRD2HTR1ACNR2
SCHEMBL25121145 0.83 HTR3E (0.51) USP7QDPRDRD2DRD4HTR1A
SCHEMBL17888476 0.81 DRD2 (0.53) DRD2DRD4HTR1AKCNH2
SCHEMBL23865578 0.79 HTR1A (0.48) USP7QDPRDRD2DRD4HTR1A
SCHEMBL25121130 0.79 USP7 (0.41) USP7QDPRDRD2DRD4HTR1A
SCHEMBL29645408 0.79 HTR1A (0.48) USP7QDPRDRD2DRD4HTR1A
SCHEMBL5338979 0.79 HTR1A (0.48) USP7QDPRDRD2DRD4HTR1A
SCHEMBL29556164 0.79 CNR2 (0.41) DRD2DRD4HTR1AKCNH2CNR2
SCHEMBL15140526 0.79 CNR2 (0.41) DRD2DRD4HTR1AKCNH2CNR2

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-2022078152-A1 BENZIMIDAZOLONE GLP-1 RECEPTOR AGONIST AND USE THEREOF 杭州中美华东制药有限公司 2022-04-21 WO disclosed