SCHEMBL8480413

SCHEMBL8480413

CCCCc1cccc2c1C(C(=O)N(CCC)N1CCCC(N3C(=O)c4ccccc4C3=O)C1)c1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTR2B P41595 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ OPRK1 P41145 1/20 0.32
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ HSD17B10 Q99714 1/20 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
SCHEMBL8485150 0.90 L3MBTL1 (0.41) L3MBTL1GAAOPRK1NR1H2NR1H3
SCHEMBL8668077 0.83 OPRK1 (0.32) OPRK1
SCHEMBL8714746 0.82 CHRM1 (0.38) GAA
SCHEMBL8503795 0.81 OPRK1 (0.31) OPRK1
SCHEMBL8485124 0.80 OPRK1 (0.33) OPRK1
SCHEMBL8669690 0.78 UTS2R (0.39) GAA
SCHEMBL8480408 0.77 TMEM97 (0.38) TMEM97HTR2ASIGMAR1L3MBTL1HTR2B
SCHEMBL8502242 0.76 NPSR1 (0.35) TMEM97SIGMAR1GAA
SCHEMBL8664326 0.74 MTR (0.35) —
SCHEMBL8485599 0.74 MTR (0.38) GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883099-A TREATMENT OF ATHERSCLEROSIS, PANCREATITIS OBESITY OR HYPERGLYCEMIA BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-16 — — US disclosed
US-5739135-A PREVENTING OR TREATING ATHEROSCLEROSIS, PANCREATITIS SECONDARY TO HYPERTRIGLYCERIDEMIA, HYPERGLYCEMIA, OBESITY BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-14 — — US disclosed
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