SCHEMBL4654558

SCHEMBL4654558

CC(=O)N1CCN(CCNc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)CC1.Cc1cc(NCCN2CC(C)OC(C)C2)nn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.57
KCNH2 Q12809 4/20 0.53

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
SCHEMBL1357179 0.91 SIGMAR1 (0.67) SIGMAR1KCNH2
SCHEMBL1356623 0.90 SIGMAR1 (0.63) SIGMAR1KCNH2
SCHEMBL4654497 0.81 SIGMAR1 (0.56) SIGMAR1KCNH2
SCHEMBL1356697 0.79 SIGMAR1 (0.63) SIGMAR1KCNH2
SCHEMBL1356396 0.78 SIGMAR1 (0.67) SIGMAR1KCNH2
SCHEMBL1356864 0.78 SIGMAR1 (0.65) SIGMAR1KCNH2
SCHEMBL1356847 0.78 SIGMAR1 (0.55) SIGMAR1KCNH2
SCHEMBL4655441 0.78 SIGMAR1 (0.67) SIGMAR1KCNH2
SCHEMBL1357037 0.77 SIGMAR1 (0.51) SIGMAR1KCNH2
SCHEMBL1357575 0.75 KDM4E (0.46) SIGMAR1KCNH2

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-1994008-A2 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR Laboratorios del Dr. Esteve S.A. (ES) 2008-11-26 EP claimed
WO-2007098967-A2 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR.ESTEVE, S.A. (ES) 2007-09-07 WO claimed