SCHEMBL8487172

SCHEMBL8487172

O=C(CCc1cc2c(s1)-n1c(nnc1C1CC1)CN=C2c1ccccc1Cl)N1CCOCC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 18/20 0.78
CYP3A4 P08684 1/20 0.78
ALOX15 P16050 1/20 0.78
OPRK1 P41145 1/20 0.49
PDE4D Q08499 1/20 0.49

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
Apafant SCHEMBL94167 0.88 PTAFR (1.00) PTAFRCYP3A4ALOX15OPRK1PDE4D
Apafant SCHEMBL29528926 0.88 PTAFR (1.00) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9421182 0.88 PTAFR (0.59) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9662020 0.84 PTAFR (0.57) PTAFRCYP3A4ALOX15OPRK1PDE4D
Apafant SCHEMBL1189235 0.84 PTAFR (0.91) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9661933 0.83 PTAFR (0.54) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL10869807 0.82 PTAFR (0.53) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9661967 0.81 PTAFR (0.87) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL8879466 0.80 OPRK1 (0.74) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL10508885 0.79 OPRK1 (0.53) PTAFRCYP3A4ALOX15OPRK1PDE4D

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
US-5895785-A ADMINISTERING ANTAGONIST THAT IS ONE OR MORE GINKGOLIDES Korth, Ruth (DE) 1999-04-20 US disclosed
EP-0604830-B1 Use of at least one PAF-antagonist for the manufacture of a medicament in the treatment or prevention of hyperinsulinism KORTH RUTH MARIA (DE) 1998-09-30 EP disclosed