SCHEMBL6919273

SCHEMBL6919273

CC(C)(C)OC(=O)NC(CC1CC(F)(F)C1)C(=O)NC(=O)[C@@H]1C[C@@H](F)CN1Cc1cc(Cl)ccc1-n1cncn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.35
F2 P00734 4/20 0.33
MC4R P32245 1/20 0.32
GPBAR1 Q8TDU6 2/20 0.32
ENPP2 Q13822 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
F10 P00742 1/20 0.31
PLAT P00750 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
ITGAV P06756 1/20 0.31
ITGB6 P18564 1/20 0.31
PTGER1 P34995 1/20 0.31
CTSS P25774 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
SCHEMBL6920452 0.92 SCN9A (0.36) SCN9AF2MC4RGPBAR1F10
SCHEMBL6919923 0.86 F2 (0.39) F2GPBAR1MEN1KMT2AF10
SCHEMBL6919276 0.84 F2 (0.38) SCN9AF2MC4RF10PLAT
SCHEMBL6077330 0.83 F2 (0.39) SCN9AF2MC4RF10PLAT
SCHEMBL6921239 0.81 F2 (0.38) F2GPBAR1MEN1KMT2AF10
SCHEMBL6919762 0.79 F2 (0.38) F2GPBAR1MEN1KMT2AF10
SCHEMBL6919684 0.79 F2 (0.42) F2GPBAR1MEN1KMT2AF10
SCHEMBL6922164 0.78 F2 (0.43) F2GPBAR1MEN1KMT2AF10
SCHEMBL6919834 0.77 ALDH1A1 (0.49) F2GPBAR1MEN1KMT2AF10
SCHEMBL6919210 0.77 F2 (0.39) F2GPBAR1MEN1KMT2AF10

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
WO-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO disclosed