SCHEMBL28956135

SCHEMBL28956135

CN1C(Oc2ccccc2)C[CH]CC1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.49
SLC6A3 Q01959 5/20 0.49
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
HRH1 P35367 1/20 0.37
SLC6A4 P31645 4/20 0.35
ALOX5 P09917 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA4 P22748 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
SCHEMBL24804361 0.83 SLC6A2 (0.56) SLC6A2SLC6A3CARM1PRMT6CHRNB4
SCHEMBL11170273 0.69 CHRNB4 (0.46) SLC6A2SLC6A3CARM1PRMT6CHRNB4
SCHEMBL10700598 0.68 SLC6A2 (0.45) SLC6A2SLC6A3CARM1PRMT6CHRNB4
SCHEMBL24449876 0.67 SLC6A2 (0.44) SLC6A2SLC6A3
SCHEMBL9683676 0.67 SLC6A2 (0.56) SLC6A2SLC6A3CARM1PRMT6HRH1
SCHEMBL24927554 0.67 SLC6A2 (0.43) SLC6A2SLC6A3CARM1PRMT6HRH1
SCHEMBL12925002 0.67 SLC6A2 (0.83) SLC6A2SLC6A3CARM1PRMT6HRH1
SCHEMBL2096465 0.66 SLC6A2 (0.54) SLC6A2SLC6A3CARM1PRMT6CHRNB4
Hydrochloric Acid SCHEMBL7938198 0.66 SLC6A2 (0.39) SLC6A2SLC6A3CARM1PRMT6CHRNB4
SCHEMBL1164678 0.65 SLC6A2 (1.00) SLC6A2SLC6A3HRH1SLC6A4

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
CN-115551841-A Azetidin-3-ylcarbinol derivatives as modulators of the CCR6 receptor 爱杜西亚药品有限公司 2022-12-30 CN disclosed