SCHEMBL9040322

SCHEMBL9040322

CCN1CCC(=O)c2ccn(CCCCCl)c2C1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
BLM P54132 1/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA2B P29275 1/20 0.30

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
SCHEMBL9041335 0.91 PTPN1 (0.37) PTPN1HTTMAPTKDM4EALDH1A1
SCHEMBL9040855 0.90 PTPN1 (0.39) PTPN1HTTMAPTKDM4EALDH1A1
SCHEMBL6994951 0.86 PTPN1 (0.36) PTPN1MEN1MAPTKMT2AKDM4E
SCHEMBL6982789 0.86 PTPN1 (0.35) PTPN1POLBADORA2B
SCHEMBL9039600 0.85 HTT (0.31) HTT
SCHEMBL9041754 0.85 PTPN1 (0.34) PTPN1POLBADORA2B
SCHEMBL9041354 0.84 L3MBTL1 (0.39) MEN1KMT2AL3MBTL1
SCHEMBL9040778 0.82 PTPN1 (0.33) PTPN1ADORA2B
SCHEMBL9041444 0.82 PTPN1 (0.35) PTPN1MEN1KMT2APOLBADORA2B
SCHEMBL6998066 0.81 PTPN1 (0.33) PTPN1MEN1KMT2APOLBADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441349-B1 Pyrroloazepine derivatives SUNTORY LTD (JP) 1996-01-03 EP disclosed
US-5416082-A Antiserotonine agents SUNTORY LIMITED (JP) 1995-05-16 US disclosed
US-5391731-A Useful therapeutics for circulatory diseases SUNTORY LIMITED (JP) 1995-02-21 US disclosed
US-5206239-A Cardiovascular disorders SUNTORY LIMITED (JP) 1993-04-27 US disclosed
EP-0441349-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 1991-08-14 EP disclosed