SCHEMBL8649950

SCHEMBL8649950

CCCCc1c2c(cc(C(=O)c3cccnc3OC(C)C)c1N1CCCCC1N)-c1ccccc1C2C(=O)NCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 2/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ SCN9A Q15858 1/20 0.31

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
SCHEMBL8652565 0.89 FFAR4 (0.32) FFAR4
SCHEMBL8655156 0.88 HCRTR2 (0.34) HCRTR2HCRTR1
SCHEMBL8651738 0.88 POLB (0.31) —
SCHEMBL8649547 0.86 SCN9A (0.31) SCN9A
SCHEMBL8652846 0.86 NPY2R (0.33) HCRTR2HCRTR1
SCHEMBL8665513 0.86 HCRTR1 (0.33) HCRTR2HCRTR1
SCHEMBL8343961 0.86 HCRTR2 (0.34) HCRTR2
SCHEMBL8654149 0.86 — —
SCHEMBL8655496 0.86 POLB (0.33) HCRTR2HCRTR1
SCHEMBL8655163 0.85 POLB (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712279-A Inhibitors of microsomal triglyceride transfer protein and method BRISTOL-MYERS SQUIBB COMPANY (US) 1998-01-27 — — US disclosed
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