SCHEMBL6996046

SCHEMBL6996046

Cn1ccc2c1C(=O)N(CCCCl)CCC2=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
RECQL P46063 2/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
BLM P54132 2/20 0.32
POLB P06746 1/20 0.32
MCL1 Q07820 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD3 P35462 8/20 0.32
DRD2 P14416 6/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
MAPK1 P28482 1/20 0.32
APOBEC3A P31941 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL7144008 0.95 DRD3 (0.33) KDM4EMEN1MAPTKMT2ARECQL
SCHEMBL6621027 0.89 DRD3 (0.34) KDM4EMEN1MAPTKMT2ARECQL
SCHEMBL6994951 0.85 PTPN1 (0.36) KDM4EMEN1MAPTKMT2ARECQL
SCHEMBL6774144 0.85 DRD3 (0.36) DRD3DRD2DRD4DRD1GRM5
SCHEMBL6997801 0.85 DRD3 (0.32) KDM4EALDH1A1HPGDDRD3DRD2
SCHEMBL6997471 0.83 KDM4E (0.31) KDM4EMEN1MAPTKMT2ARECQL
SCHEMBL6997468 0.83 KDM4E (0.31) KDM4EMEN1MAPTKMT2ARECQL
SCHEMBL6773167 0.80 GRM5 (0.35) KDM4EMEN1MAPTKMT2ARECQL
SCHEMBL9040855 0.80 PTPN1 (0.39) KDM4EMAPTALDH1A1HPGDDRD3
SCHEMBL7000263 0.80 MDM2 (0.39) KMT2AL3MBTL1PTPN1

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-0557526-B1 PYRROLOAZEPINE COMPOUND SUNTORY LTD (JP) 2003-04-02 EP disclosed
US-5399557-A Cardiovascular disorders SUNTORY LIMITED (JP) 1995-03-21 US disclosed
EP-0557526-A1 PYRROLOAZEPINE COMPOUND SUNTORY LIMITED (JP) 1993-09-01 EP disclosed