SCHEMBL8503795

SCHEMBL8503795

CCCCc1cccc2c1C(C(=O)N(CCC)N1CC(N3Cc4ccccc4C3)C1)c1ccccc1-2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ CYSLTR2 Q9NS75 2/20 0.30
▸ CYSLTR1 Q9Y271 2/20 0.30

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
SCHEMBL8668077 0.93 OPRK1 (0.32) OPRK1
SCHEMBL8485124 0.91 OPRK1 (0.33) OPRK1
SCHEMBL8502242 0.81 NPSR1 (0.35) MEN1KMT2ANPSR1
SCHEMBL8480413 0.81 TMEM97 (0.35) OPRK1
SCHEMBL8485150 0.80 L3MBTL1 (0.41) OPRK1MEN1TSHRKMT2ANPSR1
SCHEMBL8502235 0.79 AOC3 (0.32) NPSR1
SCHEMBL8503706 0.78 SCN1A (0.31) —
SCHEMBL8669690 0.77 UTS2R (0.39) MEN1KMT2ANPSR1
SCHEMBL8503796 0.77 AOC3 (0.30) —
SCHEMBL8485599 0.77 MTR (0.38) NPSR1

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-5885983-A ANTICHOLESTEROL AGENTS, ANTILIPOLYTIC AGENTS, ANTILIPEMIC AGENTS FOR TREATING HYPERLIPEMIA, ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-23 — — US disclosed
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