SCHEMBL8649546

SCHEMBL8649546

CCCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(N3CCCCC3NC(=O)c3ncccc3C3CCCCC3)c21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 6/20 0.34
▸ SCN9A Q15858 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ DHODH Q02127 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ HSD11B1 P28845 1/20 0.30
▸ BDKRB1 P46663 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
SCHEMBL8655154 0.93 HCRTR2 (0.33) HCRTR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8652559 0.88 KCNQ3 (0.34) HCRTR1
SCHEMBL8652681 0.86 CNR1 (0.32) —
SCHEMBL8652603 0.85 USP30 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8655139 0.85 F10 (0.32) —
SCHEMBL8676079 0.83 CCKBR (0.35) BDKRB1
SCHEMBL8482395 0.83 MAPT (0.38) HCRTR1
SCHEMBL8650737 0.82 POLB (0.32) —
SCHEMBL8648884 0.82 — —
SCHEMBL8652573 0.82 DRD2 (0.30) —

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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