SCHEMBL31280907

SCHEMBL31280907

COc1cc(F)ccc1C(O)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.45
DRD1 P21728 3/20 0.44
HTR2C P28335 3/20 0.44
HRH1 P35367 3/20 0.44
ADRA1B P35368 3/20 0.44
HTR2B P41595 3/20 0.44
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
ADRA2B P18089 1/20 0.44
OPRK1 P41145 1/20 0.44
KCNQ1 P51787 1/20 0.44
KCNH2 Q12809 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SLC6A4 P31645 9/20 0.39
SLC6A2 P23975 7/20 0.39
SLC6A3 Q01959 4/20 0.39
PABPC1 P11940 1/20 0.39
DRD4 P21917 2/20 0.38
HRH2 P25021 2/20 0.38
HTR1D P28221 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
SCHEMBL25697970 0.92 KCNH2 (0.42) PDE2ADRD1HTR2CHRH1ADRA1B
SCHEMBL4610694 0.81 CHRM2 (0.49) DRD1HTR2CHRH1ADRA1BHTR2B
SCHEMBL4610480 0.81 CHRM2 (0.49) DRD1HTR2CHRH1ADRA1BHTR2B
SCHEMBL31280766 0.81 SLC6A2 (0.37) HTR2CHRH1HTR2BHTR2AKCNH2
SCHEMBL23293136 0.79 KDM4E (0.39)
SCHEMBL12993119 0.78 MGAM (0.42) KCNH2SLC6A4SLC6A2ADRA1A
SCHEMBL1349204 0.78 PDE2A (0.65) PDE2AHTR2CHTR2ASLC6A4SLC6A2
SCHEMBL12563119 0.78 MGAM (0.42) KCNH2SLC6A4SLC6A2ADRA1A
SCHEMBL31280738 0.77 PDE2A (0.45) PDE2AKCNH2ADRA1A
SCHEMBL21816497 0.77 CYP3A4 (0.46) ADRA1A

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-4727941-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2026-04-22 EP disclosed
WO-2024255885-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-12-19 WO disclosed