SCHEMBL9864381

SCHEMBL9864381

CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.57
PDE4D Q08499 1/20 0.57
PTAFR P25105 18/20 0.54
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL10469799 0.88 PTAFR (0.51) OPRK1PDE4DPTAFRALDH1A1LMNA
SCHEMBL9864060 0.85 PTAFR (0.45) OPRK1PDE4DPTAFRALDH1A1LMNA
SCHEMBL8878960 0.81 OPRK1 (0.74) OPRK1PDE4DPTAFRALDH1A1LMNA
SCHEMBL10471631 0.81 PTAFR (0.44) OPRK1PDE4DPTAFRALDH1A1LMNA
SCHEMBL8928436 0.81 OPRK1 (0.77) OPRK1PDE4DPTAFRLMNACYP3A4
SCHEMBL9525615 0.80 PTAFR (0.54) OPRK1PDE4DPTAFRALDH1A1LMNA
SCHEMBL9525160 0.80 PTAFR (0.54) OPRK1PDE4DPTAFRALDH1A1LMNA
SCHEMBL9521929 0.80 PTAFR (0.54) OPRK1PDE4DPTAFRALDH1A1LMNA
SCHEMBL9521895 0.80 PTAFR (0.54) OPRK1PDE4DPTAFRALDH1A1LMNA
SCHEMBL9864389 0.79 PTAFR (0.42) OPRK1PDE4DPTAFRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407955-A1 New hetrazepines acting as PAF antagonists, process for their production and their use as drugs BOEHRINGER INGELHEIM KG (DE) 1991-01-16 EP disclosed