SCHEMBL8921096

SCHEMBL8921096

OC1C2CCN(CC2)C1C#Cc1ccc(Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
SLC18A3 Q16572 2/20 0.31
CHRNA7 P36544 4/20 0.31
GPR183 P32249 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8712010 0.82 CYP1A1 (0.38) HRH3SLC18A3
SCHEMBL8707234 0.81 HRH3 (0.37) HRH3
SCHEMBL8575385 0.79 CHRNA7 (0.33) CHRNA7
SCHEMBL8920052 0.78 KMT2A (0.53) ALDH1A1SLC18A3L3MBTL1
SCHEMBL8921220 0.77 MCHR1 (0.30)
SCHEMBL8705669 0.76 ACACB (0.39) ALDH1A1HRH3
SCHEMBL8921686 0.75 MEN1 (0.38) ALDH1A1SLC18A3
SCHEMBL8574139 0.74 CHRNA7 (0.50) CHRNA7
SCHEMBL8421972 0.74 ACACB (0.38) HRH3
SCHEMBL8417738 0.74 ACACB (0.34) ALDH1A1CHRNA7

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-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed