SCHEMBL30967765

SCHEMBL30967765

CC1CC(C#N)(c2cccc(Br)c2)CC(C)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRND Q07001 1/20 0.40
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
PDE4A P27815 4/20 0.34
PDE4B Q07343 4/20 0.34
PDE4C Q08493 4/20 0.34
PDE4D Q08499 4/20 0.34
KDM1A O60341 1/20 0.32

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
SCHEMBL30521629 0.86 SLC6A4 (0.40) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL15199126 0.86 SLC6A4 (0.40) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL25349402 0.86 SLC6A4 (0.40) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL15199129 0.86 SLC6A4 (0.40) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL12672112 0.83 SLC6A4 (0.37) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL332828 0.83 SLC6A4 (0.37) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL571927 0.80 CHRNA1 (0.37) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL10270830 0.79 PDE4A (0.35) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL15200302 0.79 KDM1A (0.38) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL10270571 0.79 PDE4A (0.35) SLC6A4SLC6A3CHRNA1CHRNGCHRNB1

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed