SCHEMBL22453820

SCHEMBL22453820

CCCC1(CCC)CC[C@H](COC)N1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ SIGMAR1 Q99720 4/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ ACHE P22303 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL22443541 0.82 TOP2A (0.34) SIGMAR1ADRA2ADRD2
SCHEMBL22443544 0.82 TOP2A (0.34) SIGMAR1ADRA2ADRD2
SCHEMBL22453308 0.82 VEGFA (0.38) VEGFAEGLN1SIGMAR1ADRA2AACHE
SCHEMBL22453781 0.80 VEGFA (0.40) VEGFAEGLN1SIGMAR1ADRA2AACHE
SCHEMBL22453840 0.75 VEGFA (0.43) VEGFAEGLN1SIGMAR1ADRA2AACHE
SCHEMBL9197413 0.69 VEGFA (0.33) VEGFAEGLN1SIGMAR1ADRA2AACHE
SCHEMBL22587046 0.69 VEGFA (0.53) VEGFAEGLN1SIGMAR1
SCHEMBL5368560 0.69 VEGFA (0.47) VEGFAEGLN1SIGMAR1CYP2D6
SCHEMBL5368558 0.69 VEGFA (0.47) VEGFAEGLN1SIGMAR1CYP2D6
SCHEMBL31565134 0.68 SIGMAR1 (0.48) VEGFAEGLN1SIGMAR1

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
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