SCHEMBL22453781

SCHEMBL22453781

COC[C@H]1CCC(C)(C)N1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ SIGMAR1 Q99720 4/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ GAA P10253 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
SCHEMBL22453840 0.91 VEGFA (0.43) VEGFAEGLN1SIGMAR1ADRA2AHTR2A
SCHEMBL22444151 0.81 SIGMAR1 (0.42) SIGMAR1ACHEMEN1KMT2AGAA
SCHEMBL22444194 0.81 SIGMAR1 (0.42) SIGMAR1ACHEMEN1KMT2AGAA
SCHEMBL22453820 0.80 VEGFA (0.37) VEGFAEGLN1SIGMAR1ADRA2AHTR2A
SCHEMBL22443700 0.80 TOP2A (0.36) SIGMAR1ADRA2AHTR2AACHEGAA
SCHEMBL22443698 0.80 TOP2A (0.36) SIGMAR1ADRA2AHTR2AACHEGAA
SCHEMBL22453308 0.78 VEGFA (0.38) VEGFAEGLN1SIGMAR1ADRA2AHTR2A
SCHEMBL22443666 0.75 GAA (0.41) SIGMAR1ACHEGAA
SCHEMBL22443667 0.75 GAA (0.41) SIGMAR1ACHEGAA
SCHEMBL22443677 0.75 GAA (0.41) SIGMAR1ACHEGAA

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
WO-2020188301-A1 HETEROCYCLYL(PHENYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2020-09-24 — — WO disclosed
Send feedback