SCHEMBL6532182

SCHEMBL6532182

O=C(Nc1nc2ccccc2n(CCN2CCOCC2)c1=O)c1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.77
NPSR1 Q6W5P4 1/20 0.77
OPRK1 P41145 8/20 0.64
OPRM1 P35372 5/20 0.64
OPRD1 P41143 5/20 0.64
TSHR P16473 3/20 0.64
HSD17B10 Q99714 2/20 0.64
MAPK1 P28482 2/20 0.64
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HPGD P15428 2/20 0.63
KMT2A Q03164 1/20 0.63
PYGM P11217 2/20 0.61
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
MTOR P42345 1/20 0.51

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
SCHEMBL6497804 0.92 KDM4E (0.64) KDM4ENPSR1OPRK1OPRM1OPRD1
SCHEMBL6500237 0.90 KDM4E (0.62) KDM4ENPSR1OPRK1OPRM1OPRD1
SCHEMBL6530642 0.87 KDM4E (1.00) KDM4ENPSR1OPRK1OPRM1OPRD1
SCHEMBL6504646 0.86 HSD17B10 (0.58) KDM4ENPSR1OPRK1OPRM1OPRD1
SCHEMBL6503393 0.84 HSD17B10 (0.62) KDM4ENPSR1OPRK1TSHRHSD17B10
SCHEMBL6529548 0.82 HSD17B10 (0.54) KDM4ENPSR1OPRK1HSD17B10LMNA
SCHEMBL5549006 0.81 PYGM (0.72) KDM4ENPSR1OPRK1OPRM1OPRD1
SCHEMBL6505494 0.78 HSD17B10 (0.58) KDM4ENPSR1OPRM1OPRD1HSD17B10
SCHEMBL5551592 0.77 LMNA (0.62) KDM4ENPSR1TSHRHSD17B10LMNA
SCHEMBL14470780 0.77 PYGM (0.69) KDM4ENPSR1OPRK1HSD17B10LMNA

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
WO-2005021547-A2 HETEROCYCLIC CANNABINOID CB2 RECEPTOR ANTAGONISTS PHARMAXIS PTY LTD. (AU) 2005-03-10 WO disclosed