SCHEMBL4965138

SCHEMBL4965138

COCCCNCc1ccc2c(c1)CCc1cc(OC(N)=O)ccc1O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
SLC2A1 P11166 1/20 0.40
KDM4E B2RXH2 7/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 3/20 0.36
RYR2 Q92736 1/20 0.36
LMNA P02545 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL4967478 0.90 KDM4E (0.49) MCHR1SLC2A1KDM4EMEN1KMT2A
SCHEMBL4965638 0.89 OPRM1 (0.41) SLC2A1SMN1; SMN2LMNAHDAC3HDAC1
SCHEMBL4963457 0.88 SLC2A1 (0.42) SLC2A1LMNAHDAC3HDAC1HDAC2
SCHEMBL4966629 0.87 SLC2A1 (0.37) SLC2A1KDM4EMEN1KMT2ARAB9A
SCHEMBL4968057 0.85 OPRM1 (0.44) MCHR1KDM4ERAB9AHPGDALDH1A1
SCHEMBL4965633 0.85 OPRM1 (0.45) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL4965646 0.84 OPRM1 (0.41) SLC2A1MEN1KMT2ARAB9ANPC1
SCHEMBL4965252 0.84 OPRM1 (0.41) MCHR1SLC2A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL4965277 0.84 OPRM1 (0.41) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4966256 0.83 AURKA (0.35) MCHR1SLC2A1KDM4EMEN1KMT2A

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