SCHEMBL8562280

SCHEMBL8562280

Cc1ncc(Cn2c(NC3CCN(CCNC(=O)c4cc5ccccc5[nH]4)CC3)nc3ccccc32)o1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.56
HRH4 Q9H3N8 1/20 0.56
PLD2 O14939 5/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
KCNH2 Q12809 6/20 0.44
PLD1 Q13393 5/20 0.43
NR4A2 P43354 1/20 0.41
SSTR5 P35346 2/20 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
SCHEMBL8562307 0.87 KCNH2 (0.48) HRH1HRH4OPRM1OPRD1OPRK1
SCHEMBL9305692 0.86 KCNH2 (0.45) HRH1HRH4OPRM1OPRD1OPRK1
SCHEMBL9304716 0.84 KCNH2 (0.46) HRH1HRH4OPRM1OPRD1OPRK1
SCHEMBL9303798 0.84 KCNH2 (0.47) HRH1HRH4OPRM1OPRD1OPRK1
SCHEMBL10508383 0.83 HRH1 (0.80) HRH1HRH4PLD2OPRM1OPRD1
Water SCHEMBL8560589 0.83 OPRK1 (0.49) HRH1HRH4OPRM1OPRD1OPRK1
Water SCHEMBL9302653 0.82 KCNH2 (0.43) HRH1HRH4OPRM1OPRD1OPRK1
SCHEMBL8560732 0.82 KCNH2 (0.46) HRH1HRH4OPRM1OPRD1OPRK1
SCHEMBL9304456 0.81 KCNH2 (0.51) HRH1HRH4OPRM1OPRD1OPRK1
SCHEMBL14173615 0.79 SSTR5 (0.51) HRH1HRH4OPRM1OPRD1OPRK1

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-0539421-B1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1998-09-23 EP disclosed