SCHEMBL29041981

SCHEMBL29041981

Brc1ccc2c(c1)CCN(C1CCOCC1)C2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 2/20 0.39
HSD17B3 P37058 3/20 0.38
CARM1 Q86X55 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
ADRA1A P35348 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
ASIC3 Q9UHC3 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL30508272 0.94 PRMT5 (0.39) PRMT5WDR77HSD17B3CARM1HRH3
SCHEMBL28587390 0.84 CARM1 (0.41) HSD17B3CARM1HRH3ABHD6ASIC3
SCHEMBL4573212 0.83 CARM1 (0.42) PRMT5HSD17B3CARM1HRH3ABHD6
SCHEMBL26963045 0.82 HRH3 (0.47) HSD17B3CARM1HRH3ABHD6ASIC3
SCHEMBL12682855 0.82 CHRM2 (0.43) PRMT5WDR77HRH3
SCHEMBL24697332 0.79 HRH3 (0.49) HRH3ASIC3FAAH
SCHEMBL30658395 0.79 ASIC3 (0.44) PRMT5HSD17B3CARM1HRH3ABHD6
SCHEMBL26963061 0.79 ASIC3 (0.44) PRMT5HSD17B3CARM1HRH3ABHD6
SCHEMBL26962994 0.78 FAAH (0.45) HSD17B3ADRA1AABHD6FAAH
SCHEMBL29113468 0.77 CARM1 (0.39) PRMT5HSD17B3CARM1ABHD6ASIC3

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-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed