SCHEMBL29773883

SCHEMBL29773883

CC(C)(C)OC(=O)n1c2ccccc2c2cnccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.49
▸ CHRM4 P08173 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ MAOA P21397 4/20 0.44
▸ MAOB P27338 4/20 0.44
▸ ACHE P22303 2/20 0.44
▸ GABRG2 P18507 2/20 0.44
▸ GABRB3 P28472 2/20 0.44
▸ GABRA5 P31644 2/20 0.44
▸ POLB P06746 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.42
▸ GABRA1 P14867 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRA6 Q16445 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ GRIN1 Q05586 1/20 0.40

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
SCHEMBL27905863 0.92 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL13696680 0.87 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL30022454 0.87 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL19806740 0.84 DDB1 (0.42) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL16597821 0.83 GABRG2 (0.42) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL31017644 0.80 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL20581212 0.78 GABRG2 (0.43) MAOAMAOBACHEGABRG2GABRB3
SCHEMBL23392066 0.78 NR1H2 (0.48) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL18012185 0.78 GABRG2 (0.41) GABRG2GABRB3GABRA5GPR119GABRA1
SCHEMBL30754584 0.78 NR1H2 (0.48) GABRG2GABRB3GABRA5GABRA1GABRA2

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 3 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
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