SCHEMBL8197656

SCHEMBL8197656

CC(O)C#Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.47
FFAR1 O14842 1/20 0.46
PTPN1 P18031 1/20 0.46
PTGES O14684 2/20 0.45
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PNMT P11086 1/20 0.41
CES2 O00748 1/20 0.40
MGLL Q99685 1/20 0.40
NR1H2 P55055 1/20 0.39
PDE2A O00408 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL30873473 0.80 GRM5 (0.58) GRM5FFAR1PTPN1PTGESCES2
SCHEMBL28722711 0.79 GABRP (0.44) FFAR1PTGESCES2MGLLNR1H2
SCHEMBL8006286 0.77 GRM5 (0.53) GRM5FFAR1PTPN1PTGESHTR2A
SCHEMBL8217128 0.75 GRM5 (0.49) GRM5FFAR1PTGES
SCHEMBL27821982 0.74 PTPN1 (0.60) GRM5FFAR1PTPN1PTGESPTGDR2
SCHEMBL17036543 0.74 GRM5 (0.50) GRM5FFAR1PTPN1PTGESHTR2A
SCHEMBL8186068 0.74 KCNH2 (0.50) GRM5PTGESPNMTPTGDR2
SCHEMBL11459465 0.74 HSD17B2 (0.45) FFAR1
SCHEMBL4472156 0.73 FFAR1 (0.52) GRM5FFAR1PTPN1PTGESNPSR1
SCHEMBL15873985 0.73 KDM4E (0.43) HTR2AHTR2CHTR2BNPSR1PNMT

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-2000024742-A1 PYRAZOLOPYRIDINE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-04 WO disclosed