SCHEMBL8479118

SCHEMBL8479118

CCCCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(N3CCCCC3NC(=O)OC(C)(C)C)c21

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.32
▸ BRD4 O60885 2/20 0.31
▸ CTSK P43235 2/20 0.31
▸ DRD2 P14416 3/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DRD3 P35462 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CKS1B P61024 1/20 0.30
▸ SKP1 P63208 1/20 0.30
▸ SKP2 Q13309 1/20 0.30
▸ SCN9A Q15858 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
SCHEMBL8663540 0.98 BRD4 (0.31) BRD4CTSKDRD2KMT2AL3MBTL1
SCHEMBL8479790 0.90 OPRK1 (0.34) OPRK1BRD4CTSKDRD2KMT2A
SCHEMBL8486150 0.87 PGR (0.32) CTSKDRD2
SCHEMBL8665945 0.85 PGR (0.34) CTSKDRD2KMT2AL3MBTL1DRD3
SCHEMBL8676079 0.85 CCKBR (0.35) —
SCHEMBL8482395 0.83 MAPT (0.38) DRD2KMT2AL3MBTL1
SCHEMBL8666557 0.82 CCKBR (0.34) DRD2KMT2ADRD3
SCHEMBL8655139 0.82 F10 (0.32) OPRK1
SCHEMBL8655308 0.82 KCNQ3 (0.32) OPRK1CTSK
SCHEMBL8652681 0.82 CNR1 (0.32) —

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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