SCHEMBL7474529

SCHEMBL7474529

NC(=O)C(Br)c1cc(F)c(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
ADRB2 P07550 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
RPS6KB1 P23443 1/20 0.30
AKT1 P31749 1/20 0.30
CES2 O00748 2/20 0.30
CES1 P23141 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL7465838 0.81 PTGS1 (0.33) CES2CES1CA1CA2CA4
SCHEMBL7471753 0.79 CES2 (0.49) DGAT1CYP3A4CES2CES1
SCHEMBL7676722 0.79 CES2 (0.49) CES2CES1
SCHEMBL14720840 0.77 DGAT1 (0.53) DGAT1CA1CA2
SCHEMBL7470109 0.73 GAA (0.49) CYP3A4CES2CES1
SCHEMBL7477905 0.73 PDE2A (0.53) HSD17B10CES2
SCHEMBL3735712 0.73 PTGS1 (0.33) CA1CA2CA4
SCHEMBL7673470 0.72 CES2 (0.47) DGAT1CES2CES1
SCHEMBL7682173 0.72 CES2 (0.47) DGAT1CES2CES1CA1CA2
SCHEMBL28135500 0.71 AKR1C3 (0.34) ADRB2CYP3A4HSD17B10ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed