SCHEMBL23657351

SCHEMBL23657351

CCN(CC)CCCOc1ccc(SNCCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.53
HTR6 P50406 1/20 0.53
KCNA5 P22460 1/20 0.49
KCNH2 Q12809 1/20 0.49
HTR2A P28223 2/20 0.47
SLC6A4 P31645 3/20 0.45
HTR1D P28221 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
IDO1 P14902 1/20 0.43
MPO P05164 1/20 0.43
ACHE P22303 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL23657359 0.90 SLC6A4 (0.58) HTR1AHTR6KCNA5KCNH2HTR2A
SCHEMBL23657358 0.90 KCNA5 (0.60) HTR1AKCNA5KCNH2HTR2ASLC6A4
SCHEMBL23657177 0.88 SLC6A4 (0.55) HTR1AHTR6KCNA5KCNH2HTR2A
SCHEMBL23657162 0.88 KCNA5 (0.58) HTR1AKCNA5KCNH2HTR2ASLC6A4
SCHEMBL23657311 0.87 KCNA5 (0.48) HTR1AKCNA5KCNH2HTR2ASLC6A4
SCHEMBL23657266 0.84 KCNA5 (0.64) HTR1AKCNA5KCNH2HTR2AHTR1D
SCHEMBL23657278 0.84 KCNA5 (0.48) HTR1AKCNA5KCNH2HTR2ASLC6A4
SCHEMBL23657372 0.81 HTR1A (0.54) HTR1AKCNA5KCNH2ACHE
SCHEMBL23648950 0.81 KCNA5 (0.74) HTR1AHTR6KCNA5KCNH2MEN1
SCHEMBL29824838 0.81 KCNA5 (0.74) HTR1AHTR6KCNA5KCNH2MEN1

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-2021145729-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-07-22 WO disclosed