SCHEMBL30499031

SCHEMBL30499031

CC1(O)CC1Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.38
SLC6A2 P23975 5/20 0.38
SLC6A3 Q01959 4/20 0.38
EZH2 Q15910 2/20 0.38
TSHR P16473 1/20 0.38
TRPA1 O75762 1/20 0.37
KDM1A O60341 4/20 0.36
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
SLC6A4 P31645 3/20 0.36
GAA P10253 2/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CA4 P22748 1/20 0.36
CCR2 P41597 1/20 0.34

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
SCHEMBL1960077 0.77 EZH2 (0.38) HRH1SLC6A2SLC6A3EZH2TSHR
SCHEMBL8814945 0.75 HRH1 (0.35) HRH1SLC6A2SLC6A3EZH2TSHR
SCHEMBL11261053 0.71 TDP1 (0.36) HRH1SLC6A2SLC6A3KDM1ASLC6A4
SCHEMBL24177909 0.70 SLC6A2 (0.38) HRH1SLC6A2SLC6A3TRPA1KDM1A
SCHEMBL562024 0.69 SLC6A2 (0.45) HRH1SLC6A2SLC6A3TSHRSLC6A4
SCHEMBL451934 0.68 GAA (0.54) HRH1SLC6A2SLC6A3EZH2TSHR
SCHEMBL10536559 0.67 TRPA1 (0.49) HRH1SLC6A2SLC6A3TRPA1SLC6A4
SCHEMBL10536556 0.67 TRPA1 (0.49) HRH1SLC6A2SLC6A3TRPA1SLC6A4
SCHEMBL11503115 0.67 TRPA1 (0.46) HRH1SLC6A2SLC6A3TSHRTRPA1
SCHEMBL10536550 0.67 TRPA1 (0.49) HRH1SLC6A2SLC6A3TRPA1SLC6A4

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-2023131116-A1 CARBONYL BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2023-07-13 WO disclosed