SCHEMBL29548306

SCHEMBL29548306

Cn1c2ccccc2c2cnccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.64
MAOA P21397 4/20 0.64
MAOB P27338 4/20 0.64
ACHE P22303 2/20 0.64
TOP2A P11388 1/20 0.59
CYP2D6 P10635 1/20 0.58
CYP11B2 P19099 2/20 0.50
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ATM Q13315 1/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45

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
SCHEMBL280028 1.00 GPR3 (0.64) GPR3MAOAMAOBACHETOP2A
SCHEMBL18381763 0.98 MAOA (0.62) GPR3MAOAMAOBACHETOP2A
SCHEMBL18381881 0.94 MAOA (0.58) GPR3MAOAMAOBACHETOP2A
SCHEMBL18381814 0.91 MAOA (0.54) GPR3MAOAMAOBACHETOP2A
SCHEMBL18381778 0.90 GPR3 (0.61) GPR3MAOAMAOBACHETOP2A
SCHEMBL18381818 0.90 GPR3 (0.61) GPR3MAOAMAOBACHETOP2A
SCHEMBL280029 0.89 TOP2A (0.50) GPR3MAOAMAOBACHETOP2A
SCHEMBL280032 0.88 GPR3 (0.64) GPR3MAOAMAOBACHETOP2A
SCHEMBL29358773 0.88 GPR3 (0.64) GPR3MAOAMAOBACHETOP2A
SCHEMBL30929605 0.88 GPR3 (0.64) GPR3MAOAMAOBACHETOP2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954801-A TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-05-09 CN disclosed
CN-114867727-B TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-02-21 CN disclosed
CN-114867727-A TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2022-08-05 CN disclosed
EP-3999182-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2022-05-25 EP disclosed