SCHEMBL6585787

SCHEMBL6585787

Cc1ccc(OCCN2CCCN(Cc3ccc4ccccc4n3)CC2)c2c1NC(=O)C2(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 8/20 0.41
HTR7 P34969 2/20 0.41
HTR1D P28221 7/20 0.40
HTR1B P28222 7/20 0.40
TDP1 Q9NUW8 1/20 0.38
FAAH O00519 2/20 0.38
ADRB2 P07550 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2C P28335 1/20 0.37
HTR1F P30939 1/20 0.37
ADRA1B P35368 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
HTR5A P47898 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
HCRTR1 O43613 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
SCHEMBL6584452 0.97 MEN1 (0.46) MEN1MAPTKMT2AHTR1AHTR7
SCHEMBL6584265 0.96 HTR1A (0.40) MEN1MAPTKMT2AHTR1AHTR7
SCHEMBL8309662 0.95 HTR1A (0.40) MEN1MAPTKMT2AHTR1AHTR7
SCHEMBL6581635 0.94 HTR1A (0.40) MEN1MAPTKMT2AHTR1AHTR7
SCHEMBL6585292 0.93 HTR1A (0.42) MEN1MAPTKMT2AHTR1AHTR7
SCHEMBL6585830 0.92 HTR1A (0.42) MEN1MAPTKMT2AHTR1AHTR7
SCHEMBL6584859 0.91 HTR1A (0.41) MEN1MAPTKMT2AHTR1AHTR7
SCHEMBL6586767 0.88 TDP1 (0.39) MEN1MAPTKMT2AHTR1AHTR7
SCHEMBL6585920 0.84 MEN1 (0.43) MEN1MAPTKMT2AHTR1AHTR7
SCHEMBL6585855 0.83 HTR1A (0.41) MEN1MAPTKMT2AHTR1AHTR7

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