SCHEMBL8197987

SCHEMBL8197987

CCCN(CCC)C(Cc1cc(Br)ccc1OCCc1ccccc1)OC(=O)C(=O)OC(Cc1cc(Br)ccc1OCCc1ccccc1)N(CCC)CCC

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.50
PTGES O14684 2/20 0.48
ALOX5 P09917 2/20 0.48
PPARG P37231 2/20 0.48
LMNA P02545 1/20 0.44

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
SCHEMBL9077417 0.95 PTGES (0.46) SIGMAR1PTGESALOX5PPARGLMNA
SCHEMBL8197530 0.92 SIGMAR1 (0.48) SIGMAR1PTGESALOX5PPARG
SCHEMBL8197915 0.88 SIGMAR1 (0.50) SIGMAR1PTGESALOX5PPARG
SCHEMBL9074720 0.87 SIGMAR1 (0.50) SIGMAR1PTGESALOX5PPARG
SCHEMBL9077423 0.85 SIGMAR1 (0.42) SIGMAR1PTGESALOX5PPARG
SCHEMBL9077333 0.83 PTGES (0.46) SIGMAR1PTGESALOX5PPARG
SCHEMBL8189465 0.81 SIGMAR1 (0.52) SIGMAR1PTGESALOX5PPARG
SCHEMBL8728742 0.81 SIGMAR1 (0.74) SIGMAR1
SCHEMBL8201210 0.81 SIGMAR1 (0.67) SIGMAR1PTGESALOX5PPARG
SCHEMBL8203162 0.80 SIGMAR1 (0.48) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717990-B1 COMPOSITION FOR REMEDYING DRUG DEPENDENCE TAISHO PHARMACEUTICAL CO LTD (JP) 2000-05-24 EP disclosed
EP-0717990-A1 COMPOSITION FOR REMEDYING DRUG DEPENDENCE TAISHO PHARMACEUTICAL CO. LTD (JP) 1996-06-26 EP disclosed
US-5495046-A PSYCHOLOGICAL DISORDERS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1996-02-27 US disclosed
EP-0641766-A1 ALKOXYPHENYLALKYLAMINE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-03-08 EP disclosed