SCHEMBL28641327

SCHEMBL28641327

OCc1ccc(CN2CCC(Oc3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ GAA P10253 1/20 0.60
▸ OPRK1 P41145 1/20 0.58
▸ CARM1 Q86X55 1/20 0.52
▸ PRMT6 Q96LA8 1/20 0.52
▸ DRD2 P14416 3/20 0.52
▸ DRD4 P21917 3/20 0.52
▸ DRD3 P35462 3/20 0.52
▸ ROCK2 O75116 1/20 0.51
▸ CCR2 P41597 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ FAAH O00519 1/20 0.51

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
SCHEMBL4855546 0.89 HRH3 (0.74) HRH3SMN1; SMN2GAAOPRK1CARM1
SCHEMBL12642623 0.88 HRH3 (0.61) HRH3SMN1; SMN2GAAOPRK1CARM1
SCHEMBL5203366 0.82 HRH3 (0.69) HRH3SMN1; SMN2GAAOPRK1ROCK2
SCHEMBL28633821 0.82 HRH3 (0.57) HRH3SMN1; SMN2GAAOPRK1CARM1
SCHEMBL13463052 0.81 HRH3 (0.70) HRH3SMN1; SMN2GAAOPRK1ROCK2
SCHEMBL3022526 0.81 HRH3 (0.71) HRH3SMN1; SMN2GAAOPRK1ROCK2
SCHEMBL8393625 0.81 HRH3 (0.71) HRH3SMN1; SMN2GAAOPRK1ROCK2
SCHEMBL10607825 0.80 HRH3 (0.62) HRH3SMN1; SMN2GAAOPRK1CARM1
SCHEMBL5207650 0.80 HRH3 (0.70) HRH3SMN1; SMN2GAAOPRK1ROCK2
SCHEMBL1895869 0.79 HRH3 (0.69) HRH3SMN1; SMN2GAAOPRK1CARM1

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
CN-113454086-B Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2025-03-14 — — CN disclosed
CN-113454086-A Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2021-09-28 — — CN disclosed
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