SCHEMBL8420501

SCHEMBL8420501

COCCOc1ccc(CCC2C(O)C3CCN2CC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
CHRNA7 P36544 1/20 0.38
CTSK P43235 1/20 0.36
KCNH2 Q12809 2/20 0.36
CHKA P35790 1/20 0.36
GAA P10253 1/20 0.36
GLA P06280 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
KCNA5 P22460 1/20 0.35

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
SCHEMBL8417915 0.73 ACACB (0.37) MEN1ALDH1A1CYP2D6RAB9AKMT2A
SCHEMBL8417740 0.73 HRH3 (0.34) CYP2D6CHRNA7HRH3
SCHEMBL8421598 0.72 LTA4H (0.42) MEN1ALDH1A1CYP2D6RAB9AKMT2A
Hydrochloric Acid SCHEMBL8420397 0.72 LTA4H (0.42) MEN1ALDH1A1CYP2D6RAB9AKMT2A
SCHEMBL8417734 0.71 CHRNA7 (0.38) CHRNA7KCNH2HRH3
SCHEMBL8418508 0.70 CHRNA7 (0.38) CHRNA7KCNH2HRH3
SCHEMBL11397736 0.69 MEN1 (0.43) MEN1ALDH1A1KMT2AGAAHRH3
SCHEMBL10913522 0.69 GAA (0.44) ALDH1A1KMT2ACHRNA7KCNH2GAA
SCHEMBL9406735 0.68 KMT2A (0.44) MEN1ALDH1A1CYP2D6RAB9AKMT2A
SCHEMBL9406728 0.68 KMT2A (0.44) MEN1ALDH1A1CYP2D6RAB9AKMT2A

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
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed