SCHEMBL4965633

SCHEMBL4965633

NC(=O)Oc1ccc2c(c1)CCc1cc(CNCCCc3ccccc3)ccc1O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.45
OPRD1 P41143 4/20 0.45
OPRK1 P41145 4/20 0.45
BCHE P06276 3/20 0.44
S1PR1 P21453 6/20 0.42
S1PR3 Q99500 3/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL4965638 0.86 OPRM1 (0.41) OPRM1OPRD1OPRK1S1PR1S1PR3
SCHEMBL4963457 0.85 SLC2A1 (0.42) OPRM1OPRD1OPRK1S1PR1S1PR3
SCHEMBL4965138 0.85 MCHR1 (0.43) NPC1POLBRAB9AMEN1KMT2A
SCHEMBL4968096 0.85 OPRM1 (0.49) OPRM1OPRD1OPRK1BCHENPC1
SCHEMBL4966629 0.84 SLC2A1 (0.37) OPRM1OPRD1OPRK1S1PR1S1PR3
SCHEMBL4967478 0.83 KDM4E (0.49) NPC1POLBRAB9AMEN1KMT2A
SCHEMBL4967496 0.82 OPRM1 (0.46) OPRM1OPRD1OPRK1NPC1POLB
SCHEMBL4965646 0.82 OPRM1 (0.41) OPRM1OPRD1OPRK1NPC1POLB
SCHEMBL4965252 0.82 OPRM1 (0.41) OPRM1OPRD1OPRK1NPC1POLB
SCHEMBL4966564 0.81 MEN1 (0.44) BCHEPOLBMEN1KMT2ACYP3A4

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-1730140-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-06-25 EP claimed