SCHEMBL6994882

SCHEMBL6994882

CN1CCC(=O)c2ccn(CCCCBr)c2C1=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.31
PNMT P11086 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
SCHEMBL6989751 0.99 PNMT (0.32) PTPN1PNMT
SCHEMBL6993141 0.92 MEN1 (0.32) PNMT
SCHEMBL6982789 0.86 PTPN1 (0.35) PTPN1
SCHEMBL9041754 0.85 PTPN1 (0.34) PTPN1
SCHEMBL9041444 0.85 PTPN1 (0.35) PTPN1
SCHEMBL9038657 0.84
SCHEMBL9265702 0.80 TBXAS1 (0.41)
SCHEMBL6988025 0.79 L3MBTL1 (0.39)
SCHEMBL6987269 0.78 L3MBTL1 (0.38)
SCHEMBL6986608 0.78 L3MBTL1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551527-B1 PYRROLOAZEPINE DERIVATIVE SUNTORY LTD (JP) 2003-04-02 EP disclosed
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-5397780-A Antiserotonine, hypotensive, congestive heart failure SUNTORY LIMITED (JP) 1995-03-14 US disclosed
US-5391731-A Useful therapeutics for circulatory diseases SUNTORY LIMITED (JP) 1995-02-21 US disclosed
EP-0551527-A1 PYRROLOAZEPINE DERIVATIVE SUNTORY LIMITED (JP) 1993-07-21 EP 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