SCHEMBL9039600

SCHEMBL9039600

CCN1CCC(=NO)c2ccn(CCCCCl)c2C1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.31

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
SCHEMBL9040156 0.92 GRM5 (0.32)
SCHEMBL9037511 0.91 NPC1 (0.35) HTT
SCHEMBL6993447 0.88 ALDH1A1 (0.32)
SCHEMBL6993449 0.88 ALDH1A1 (0.32)
SCHEMBL6989871 0.87
SCHEMBL6989876 0.87
SCHEMBL9038921 0.86
SCHEMBL9037778 0.86 DHPS (0.36)
SCHEMBL9040322 0.85 PTPN1 (0.35) HTT
SCHEMBL9039317 0.84

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