SCHEMBL6581635

SCHEMBL6581635

Cc1ccc(OCCCCCN2CCCN(Cc3ccc4ccccc4n3)CC2)c2c1NC(=O)C2(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.40
HRH3 Q9Y5N1 4/20 0.39
HTR7 P34969 4/20 0.39
HTR2A P28223 4/20 0.39
HTR6 P50406 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
DRD2 P14416 4/20 0.36
SLC6A4 P31645 2/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL8309662 0.99 HTR1A (0.40) HTR1AHRH3HTR7HTR2AHTR6
SCHEMBL6584859 0.97 HTR1A (0.41) HTR1AHRH3HTR7HTR2AHTR6
SCHEMBL6584265 0.97 HTR1A (0.40) HTR1AHRH3HTR7HTR2AMEN1
SCHEMBL6585830 0.97 HTR1A (0.42) HTR1AHTR7HTR2AMEN1KMT2A
SCHEMBL6585787 0.94 MEN1 (0.43) HTR1AHTR7TDP1MEN1KMT2A
SCHEMBL6585292 0.94 HTR1A (0.42) HTR1AHTR7HTR2AMEN1KMT2A
SCHEMBL6586767 0.93 TDP1 (0.39) HTR1AHRH3HTR7HTR2AHTR6
SCHEMBL6584452 0.92 MEN1 (0.46) HTR1AHTR7MEN1KMT2AMAPT
SCHEMBL6587330 0.85 DRD2 (0.43) HTR1AHTR2ADRD2
SCHEMBL6585855 0.85 HTR1A (0.41) HTR1AHTR7TDP1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed