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SCHEMBL8196408

SCHEMBL8196408

CCCN(CCC)C(Cc1ccc(OC)c(OCCc2cccc(Cl)c2)c1)OC(=O)C(=O)OC(Cc1ccc(OC)c(OCCc2cccc(Cl)c2)c1)N(CCC)CCC

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 9/20 0.59
▸ EBP Q15125 1/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.50

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
SCHEMBL9077118 0.90 SIGMAR1 (0.62) SIGMAR1EBPTMEM97
SCHEMBL8728742 0.89 SIGMAR1 (0.74) SIGMAR1EBPTMEM97
SCHEMBL8201210 0.85 SIGMAR1 (0.67) SIGMAR1EBPTMEM97
SCHEMBL8196559 0.85 SIGMAR1 (0.61) SIGMAR1EBPTMEM97
SCHEMBL8198626 0.85 SIGMAR1 (0.66) SIGMAR1EBPTMEM97
SCHEMBL9075945 0.84 SIGMAR1 (0.66) SIGMAR1EBPTMEM97
SCHEMBL8731786 0.83 SIGMAR1 (0.66) SIGMAR1EBPTMEM97
SCHEMBL9077642 0.81 SIGMAR1 (0.58) SIGMAR1
SCHEMBL9077457 0.81 SIGMAR1 (0.60) SIGMAR1EBPTMEM97
Oxalic Acid SCHEMBL8196405 0.80 SIGMAR1 (0.72) SIGMAR1EBPTMEM97

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-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