SCHEMBL4774640

SCHEMBL4774640

C=CC(=O)N(C)Cc1sc2ccc(F)cc2c1C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
MAPT P10636 1/20 0.36
GSTO1 P78417 1/20 0.35
CMA1 P23946 4/20 0.34
TBXAS1 P24557 1/20 0.33
BCL2A1 Q16548 1/20 0.33
CYP17A1 P05093 1/20 0.33

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
SCHEMBL1251713 0.82 TAS1R3 (0.39)
Hydrochloric Acid SCHEMBL30903259 0.81 TAS1R3 (0.38)
SCHEMBL13408235 0.77 GAA (0.34) MAPT
Hydrochloric Acid SCHEMBL1253764 0.77 GAA (0.34) MAPT
Hydrochloric Acid SCHEMBL1253765 0.77 GAA (0.34) MAPT
SCHEMBL23532043 0.76 EGFR (0.34)
SCHEMBL26167937 0.72 TAS1R3 (0.37)
SCHEMBL1253825 0.71
SCHEMBL1253822 0.71
SCHEMBL12810668 0.71 CRHR1 (0.40) MTNR1AMTNR1BMAPTCMA1TBXAS1

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
EP-1973902-A2 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS Affinium Pharmaceuticals, Inc. (CA) 2008-10-01 EP claimed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 WO claimed