SCHEMBL5034089

SCHEMBL5034089

Bc1ccc(F)c(C(C)(N)C(=O)OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.37
AR P10275 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MAPK1 P28482 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL15535558 0.83 SMN1; SMN2 (0.40) KCNN4NPSR1MAPK1TSHRL3MBTL1
SCHEMBL247425 0.83 SMN1; SMN2 (0.40) KCNN4NPSR1MAPK1TSHRL3MBTL1
SCHEMBL11894382 0.83 SMN1; SMN2 (0.40) KCNN4NPSR1MAPK1TSHRL3MBTL1
SCHEMBL15602074 0.79 KCNN4 (0.44) KCNN4NPSR1HPGDMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL16059704 0.78 KCNN4 (0.42) KCNN4NPSR1HPGDMAPTSMN1; SMN2
SCHEMBL246691 0.75 NOTUM (0.35) KCNN4NPSR1TSHRLMNASMN1; SMN2
SCHEMBL28919323 0.72 HSD17B1 (0.38) NPSR1LMNAMAPTSMN1; SMN2
SCHEMBL28918682 0.71 MEN1 (0.40) L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL18022983 0.70 KCNH2 (0.35)
SCHEMBL22062248 0.70 KCNN4 (0.41) KCNN4NPSR1HPGDTSHRTP53

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-2012062751-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO disclosed