SCHEMBL6997957

SCHEMBL6997957

CN1CCC(=O)c2cn(CCCCCl)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.32
RECQL P46063 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
SCHEMBL6992607 0.82 MEN1 (0.31) MEN1KMT2A
SCHEMBL6992600 0.82 MEN1 (0.31) MEN1KMT2A
SCHEMBL6831067 0.76 MDM2 (0.35) KMT2A
SCHEMBL6982789 0.73 PTPN1 (0.35) POLBRECQL
SCHEMBL6998066 0.73 PTPN1 (0.33) MEN1KMT2APOLBRECQL
SCHEMBL9041754 0.72 PTPN1 (0.34) POLBRECQL
SCHEMBL6780135 0.72 DRD3 (0.34) MEN1KMT2APOLBRECQL
SCHEMBL6992055 0.70 DRD2 (0.61)
SCHEMBL9041444 0.69 PTPN1 (0.35) MEN1KMT2APOLBRECQL
SCHEMBL3289766 0.66 DRD3 (0.47)

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-0915881-B1 PYRROLOAZEPINE COMPOUNDS SUNTORY LTD (JP) 2003-01-08 EP disclosed
US-6211362-B1 CHEMICAL INTERMEDIATE FOR DRUGS SUNTORY LIMITED (JP) 2001-04-03 US disclosed
US-6187772-B1 Pyrroloazepine compounds SUNTORY LIMITED (JP) 2001-02-13 US disclosed