SCHEMBL6563215

SCHEMBL6563215

CNC(=O)C#Cc1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.42
FFAR4 Q5NUL3 2/20 0.42
CHRM2 P08172 1/20 0.42
S1PR1 P21453 1/20 0.42
FPR1 P21462 1/20 0.42
FPR3 P25089 1/20 0.42
GPR183 P32249 1/20 0.42
APLNR P35414 1/20 0.42
GPR65 Q8IYL9 1/20 0.42
TSHR P16473 1/20 0.41
GRM5 P41594 1/20 0.40
IKBKB O14920 1/20 0.40
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36

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
SCHEMBL670980 0.79 FFAR1 (0.49) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL12430910 0.79 FFAR1 (0.45) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL30231559 0.79 FFAR1 (0.49) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL15841077 0.78 FFAR1 (0.45) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL6561814 0.77 PLK1 (0.49) GRM5ALDH1A1NPC1RAB9AHPGD
SCHEMBL11572436 0.77 IKBKB (0.44) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL6329854 0.76 FFAR1 (0.44) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL4179336 0.75 TP53 (0.41) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL4554708 0.75 NPSR1 (0.55) GRM5ALDH1A1RECQLSMN1; SMN2NPC1
SCHEMBL27167218 0.74 HSP90AA1 (0.64) FFAR1FFAR4CHRM2S1PR1FPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944581-A4 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES LILLY CO ELI (US) 2004-09-08 EP disclosed
US-6069247-A REACTING AN ACETYLENECARBOXY AMIDE AND AN ARYL OR HETEROCYCLYL HALIDE OR A GROUP ENHANCING THE ELECTROPHILICITY OF THE ATOM TO WHICH IT IS ATTACHED FOR DISPLACEMENT; USING A PALLADIUM COMPOUND CATALYST, A BASE AND AN ACID ELI LILLY AND COMPANY (US) 2000-05-30 US disclosed
EP-0944581-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1999-09-29 EP disclosed
US-5917038-A REACTING PROPIOLAMIDE WITH ACTIVATED AROMATIC RING IN THE PRESENCE OF A PALLADIUM CATALYST ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed
WO-1998022429-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1998-05-28 WO disclosed