SCHEMBL6586772

SCHEMBL6586772

CC1(C)C(=O)Nc2ccc(OCCN3CCCN(Cc4ccc5ccccc5n4)CC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.42
ALK Q9UM73 1/20 0.41
MAOB P27338 3/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ALOX5AP P20292 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAOA P21397 1/20 0.39
FAAH O00519 1/20 0.39
DRD3 P35462 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL6584864 0.97 MEN1 (0.44) MEN1MAPTKMT2ADRD2MAOB
SCHEMBL6588676 0.96 DRD2 (0.47) DRD2MAOBMAOADRD3HRH3
SCHEMBL8312088 0.94 MEN1 (0.41) MEN1MAPTKMT2ADRD2ALK
SCHEMBL6585070 0.93 DRD2 (0.49) DRD2MAOBHTR1ASLC6A2SLC6A4
SCHEMBL6586857 0.92 MAOA (0.47) DRD2MAOBHTR1AMAOADRD3
SCHEMBL6583577 0.91 MAOA (0.47) DRD2MAOBMAOADRD3HRH3
SCHEMBL6586868 0.91 MEN1 (0.43) MEN1MAPTKMT2ADRD2MAOB
SCHEMBL6585134 0.90 DRD2 (0.46) DRD2MAOBMAOADRD3HRH3
SCHEMBL6583217 0.87 DRD2 (0.48) DRD2MAOBHTR1AMAOADRD3
SCHEMBL6584982 0.86 MAOA (0.48) DRD2MAOBMAOADRD3HRH3

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 3 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
US-6127360-A ANTIHISTAMINES, ANTILEUKOTRIENES, ANTIINFLAMMATORY AGENTS, ANTIASTHMATIC AGENTS KOWA CO., LTD. (JP) 2000-10-03 US disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed