SCHEMBL29098064

SCHEMBL29098064

c1cnnc(COc2ccc3c(c2)CNCC3)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
CD274 Q9NZQ7 1/20 0.44
SYK P43405 2/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
PNMT P11086 4/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL30199461 1.00 HRH3 (0.46) HRH3CD274SYKADRA2AADRA2B
SCHEMBL30199561 0.85 SYK (0.56) HRH3CD274SYKADRA2AADRA2B
SCHEMBL29098117 0.85 SYK (0.56) HRH3CD274SYKADRA2AADRA2B
SCHEMBL30198781 0.78 HRH3 (0.46) HRH3CD274ADRA2AADRA2BADRA2C
SCHEMBL29097881 0.78 HRH3 (0.46) HRH3CD274ADRA2AADRA2BADRA2C
SCHEMBL30199543 0.76 HRH3 (0.50) HRH3CD274ADRA2AADRA2BADRA2C
SCHEMBL29097817 0.76 HRH3 (0.50) HRH3CD274ADRA2AADRA2BADRA2C
SCHEMBL29474892 0.76 HRH3 (0.59) HRH3CD274PNMT
SCHEMBL3503754 0.76 HRH3 (0.59) HRH3CD274PNMT
SCHEMBL23537837 0.75 HRH3 (0.46) HRH3CD274SYKADRA2AADRA2B

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-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 CN disclosed