SCHEMBL7699337

SCHEMBL7699337

CCOC(=O)c1cccc(OC2CCN(C(C)C)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 1/20 0.55
HRH3 Q9Y5N1 13/20 0.51
OPRK1 P41145 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PABPC1 P11940 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
Hydrochloric Acid SCHEMBL7698306 0.99 SLC5A7 (0.54) SLC5A7HRH3OPRK1MEN1KMT2A
SCHEMBL6487958 0.87 KMT2A (0.51) SLC5A7OPRK1MEN1KMT2ANPC1
SCHEMBL2811871 0.87 SLC5A7 (0.57) SLC5A7HRH3OPRK1MEN1KMT2A
SCHEMBL4237314 0.84 HRH3 (0.57) SLC5A7HRH3OPRK1MEN1KMT2A
SCHEMBL931742 0.84 MAOA (0.52) OPRK1MEN1KMT2ARAB9A
SCHEMBL930973 0.84 MAOA (0.49) OPRK1MEN1KMT2ARAB9A
SCHEMBL6975866 0.83 SLC5A7 (0.56) SLC5A7HRH3OPRK1
Hydrochloric Acid SCHEMBL7081383 0.83 HRH3 (0.56) SLC5A7HRH3OPRK1MEN1KMT2A
SCHEMBL931352 0.83 MAOA (0.54) OPRK1MEN1KMT2ARAB9A
SCHEMBL930417 0.83 MAOA (0.54) OPRK1MEN1KMT2ARAB9A

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
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US disclosed