SCHEMBL23657287

SCHEMBL23657287

CCN1CCN(CCCOc2ccc(SNCCCc3c[nH]c4ccc(F)cc34)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.58
MPO P05164 5/20 0.56
SLC6A4 P31645 5/20 0.52
HTR7 P34969 2/20 0.51
KCNH2 Q12809 2/20 0.51
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL23657283 0.94 MPO (0.64) HTR1AMPOSLC6A4HTR7KCNH2
SCHEMBL23657438 0.91 MPO (0.62) HTR1AMPOSLC6A4HTR7SLC6A2
SCHEMBL23657417 0.91 HTR1A (0.55) HTR1AMPOSLC6A4HTR7KCNH2
SCHEMBL23657424 0.90 HTR1A (0.55) HTR1AMPOSLC6A4HTR7KCNH2
SCHEMBL23657434 0.88 HTR1A (0.53) HTR1AMPOSLC6A4
SCHEMBL23657372 0.88 HTR1A (0.54) HTR1AKCNH2
SCHEMBL23657378 0.87 HTR1A (0.50) HTR1AMPOSLC6A4HTR7KCNH2
SCHEMBL23657420 0.84 HTR1A (0.64) HTR1A
SCHEMBL23657396 0.84 HTR1A (0.51) HTR1AMPO
SCHEMBL23657405 0.84 HTR1A (0.51) HTR1AMPOKCNH2

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