SCHEMBL6583402

SCHEMBL6583402

CC1(C)C(=O)Nc2c(OCCCCN3CCN(Cc4ccc5ccccc5n4)CC3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.43
HTR7 P34969 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.41
FAAH O00519 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD2 P14416 1/20 0.39
HRH3 Q9Y5N1 5/20 0.39
HTR2A P28223 2/20 0.39
HTR6 P50406 2/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL6581869 0.97 HTR1A (0.43) HTR1AHTR7MEN1KMT2AMAPT
SCHEMBL6585855 0.95 HTR1A (0.41) HTR1AHTR7MEN1KMT2AMAPT
SCHEMBL6585830 0.88 HTR1A (0.42) HTR1AHTR7MEN1KMT2AMAPT
SCHEMBL6584859 0.87 HTR1A (0.41) HTR1AHTR7MEN1KMT2AMAPT
SCHEMBL8309662 0.85 HTR1A (0.40) HTR1AHTR7MEN1KMT2AMAPT
SCHEMBL6583227 0.85 HTR1A (0.44) HTR1AHTR7MEN1KMT2AMAPT
SCHEMBL6585292 0.85 HTR1A (0.42) HTR1AHTR7MEN1KMT2AMAPT
SCHEMBL6581635 0.85 HTR1A (0.40) HTR1AHTR7MEN1KMT2AMAPT
SCHEMBL6586857 0.83 MAOA (0.47) HTR1ADRD2HRH3
SCHEMBL8310206 0.83 HTR1A (0.42) HTR1AHTR7MEN1KMT2AMAPT

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