Sugi Predict

Sugi Predict / Compounds / SCHEMBL4655441

SCHEMBL4655441

SCHEMBL4655441

CC(=O)N1CCN(CCNc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)CC1.O=C(CN1CCCCCC1)Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 18/20 0.67
▸ KCNH2 Q12809 3/20 0.47
▸ ENPP2 Q13822 1/20 0.46
▸ ABL1 P00519 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
SCHEMBL1357179 0.85 SIGMAR1 (0.67) SIGMAR1KCNH2
SCHEMBL4655527 0.83 SIGMAR1 (0.54) SIGMAR1KCNH2
SCHEMBL1356468 0.82 SIGMAR1 (1.00) SIGMAR1ENPP2ABL1
SCHEMBL1356838 0.82 SIGMAR1 (1.00) SIGMAR1ENPP2ABL1
SCHEMBL1356890 0.81 SIGMAR1 (0.68) SIGMAR1KCNH2
SCHEMBL1356864 0.81 SIGMAR1 (0.65) SIGMAR1KCNH2
SCHEMBL1356501 0.80 SIGMAR1 (0.66) SIGMAR1KCNH2
SCHEMBL1356697 0.80 SIGMAR1 (0.63) SIGMAR1KCNH2
SCHEMBL4655482 0.80 SIGMAR1 (0.51) SIGMAR1KCNH2ENPP2
SCHEMBL4655519 0.79 SIGMAR1 (0.64) SIGMAR1KCNH2ENPP2ABL1

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 disclosed
WO-2007098967-A2 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR.ESTEVE, S.A. (ES) 2007-09-07 — — WO disclosed