SCHEMBL8550829

SCHEMBL8550829

[C-]#[N+]C(F)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP2D6 P10635 1/20 0.35
SRC P12931 1/20 0.35
LMNA P02545 2/20 0.33
HRH1 P35367 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
GRM7 Q14831 1/20 0.33
MAPK1 P28482 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
SCHEMBL7882222 0.71 DPP4 (0.43) DPP4F2TSHRHTR2ATAAR1
SCHEMBL3564463 0.71 DPP4 (0.43) DPP4F2TSHRHTR2ATAAR1
SCHEMBL1193669 0.69 DPP4 (0.47) DPP4F2TSHRHTR2ATAAR1
SCHEMBL60955 0.69
SCHEMBL915178 0.69 DPP4 (0.47) DPP4F2TSHRHTR2ATAAR1
SCHEMBL7024449 0.69 DPP4 (0.41) DPP4F2TSHRHTR2ATAAR1
Hydrochloric Acid SCHEMBL28033934 0.67 DPP4 (0.45) DPP4F2TSHRHTR2ATAAR1
SCHEMBL377591 0.67 TAAR1 (0.42) DPP4F2TSHRTAAR1CYP2D6
SCHEMBL2406731 0.67 TAAR1 (0.42) DPP4F2TSHRTAAR1CYP2D6
SCHEMBL6923382 0.67 DPP4 (0.52) DPP4F2TSHRHTR2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831830-A4 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-12-02 EP disclosed
EP-0831830-A1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-01 EP disclosed
WO-1996040143-A1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-12-19 WO disclosed