SCHEMBL9503326

SCHEMBL9503326

CCCN(CCOc1c(Cl)cccc1Cl)CCc1ccc(OC(C)=O)c(OC(C)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
EBP Q15125 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45

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
SCHEMBL9505419 0.90 NCEH1 (0.45) SIGMAR1EBPTMEM97
SCHEMBL9505418 0.89 SIGMAR1 (0.43) SIGMAR1EBPTMEM97
SCHEMBL9503551 0.86 SIGMAR1 (0.41) SIGMAR1EBPTMEM97
SCHEMBL10956576 0.84 TRPV1 (0.53) SIGMAR1EBPTMEM97
Bromide SCHEMBL10960279 0.83 KDM4E (0.54) SIGMAR1EBPTMEM97
SCHEMBL9503683 0.80 DRD2 (0.64)
Hydrochloric Acid SCHEMBL9507149 0.79 DRD2 (0.63)
SCHEMBL9506536 0.79 SIGMAR1 (0.48) SIGMAR1EBPTMEM97
SCHEMBL9503522 0.74 SIGMAR1 (0.52) SIGMAR1EBPTMEM97
SCHEMBL9503329 0.72 KDM4E (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321967-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed
EP-0321967-A2 Compounds active on the cardiovascular system ZAMBON GROUP S.p.A. (IT) 1989-06-28 EP disclosed