SCHEMBL30789232

SCHEMBL30789232

COCCCCN1CC[C@H](N(C)c2cccc3c2CNCC3)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
MEN1 O00255 1/20 0.39
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CD274 Q9NZQ7 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
PGR P06401 1/20 0.34
CXCR4 P61073 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
PNMT P11086 2/20 0.33

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
SCHEMBL24913943 0.81 ALDH1A1 (0.37) HRH3MEN1SIGMAR1JAK2JAK1
SCHEMBL30156764 0.81 ALDH1A1 (0.37) HRH3MEN1SIGMAR1JAK2JAK1
Hydrochloric Acid SCHEMBL29168604 0.81 ALDH1A1 (0.37) HRH3MEN1SIGMAR1JAK2JAK1
Hydrochloric Acid SCHEMBL29168609 0.81 ALDH1A1 (0.37) HRH3MEN1SIGMAR1JAK2JAK1
SCHEMBL21744416 0.70 CXCR4 (0.47) CD274CXCR4PNMT
SCHEMBL24914009 0.69 PNMT (0.40) PNMT
SCHEMBL24913833 0.68 PNMT (0.41) MEN1PNMT
Hydrochloric Acid SCHEMBL29168701 0.67 PNMT (0.40) MEN1PNMT
SCHEMBL21659368 0.64 HRH3 (0.61) HRH3PNMT
Hydrochloric Acid SCHEMBL4719499 0.63 HRH3 (0.60) HRH3PNMT

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-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 CN disclosed