SCHEMBL23657377

SCHEMBL23657377

Clc1ccc2[nH]cc(CCCNSc3ccc(OCCCN4CCCC4)cc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.49
MPO P05164 1/20 0.48
HTR2A P28223 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
GFER P55789 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
HTR6 P50406 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL23657284 0.99 HTR1A (0.48) HTR1AMPOHTR2AHTR1DHTR1B
SCHEMBL23657431 0.99 HTR1A (0.48) HTR1AMPOHTR2AHTR1DHTR1B
SCHEMBL23657427 0.93 HTR1A (0.49) HTR1AMPOHTR2AHTR1DHTR1B
SCHEMBL23657407 0.93 HTR1A (0.45) HTR1AMPOHTR2AHTR1DHTR1B
SCHEMBL23657295 0.93 HTR1A (0.47) HTR1AHTR1DHTR1BGFERHSD17B10
SCHEMBL23657405 0.93 HTR1A (0.51) HTR1AMPOHTR1DHTR1BGFER
SCHEMBL23657308 0.91 HTR1A (0.46) HTR1AHTR1DHTR1BGFERHSD17B10
SCHEMBL23657268 0.91 HTR1A (0.46) HTR1AHTR1DHTR1BGFERHSD17B10
SCHEMBL23657324 0.91 HTR1A (0.46) HTR1AHTR1DHTR1BGFERHSD17B10
SCHEMBL23657297 0.91 HTR1A (0.45) HTR1AMPOHTR1DHTR1BGFER

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