SCHEMBL17029481

SCHEMBL17029481

C[C@H]1CCOC1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.53
SLC6A3 Q01959 4/20 0.53
ADRA1A P35348 1/20 0.53
HTR2B P41595 1/20 0.53
CYP2C19 P33261 2/20 0.52
HTR1A P08908 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRNA7 P36544 1/20 0.37
CYP2D6 P10635 3/20 0.36
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 1/20 0.36
SLC18A3 Q16572 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
SCHEMBL13778756 1.00 SLC6A2 (0.53) SLC6A2SLC6A3ADRA1AHTR2BCYP2C19
SCHEMBL5019139 1.00 SLC6A2 (0.53) SLC6A2SLC6A3ADRA1AHTR2BCYP2C19
SCHEMBL19668097 0.84 SLC6A2 (0.47) SLC6A2SLC6A3ADRA1AHTR2BCYP2C19
SCHEMBL19668081 0.84 SLC6A2 (0.47) SLC6A2SLC6A3ADRA1AHTR2BCYP2C19
SCHEMBL19668060 0.84 SLC6A2 (0.47) SLC6A2SLC6A3ADRA1AHTR2BCYP2C19
SCHEMBL23474171 0.77 TSHR (0.52) SLC6A2SLC6A3ADRA1AHTR2BCYP2C19
SCHEMBL4171081 0.76 MAOB (0.48) SLC6A2SLC6A3ADRA1AHTR2BCYP2C19
SCHEMBL4790557 0.76 SMN1; SMN2 (0.46) SLC6A2SLC6A3ADRA1AHTR2BCYP2C19
SCHEMBL4171085 0.76 MAOB (0.48) SLC6A2SLC6A3ADRA1AHTR2BCYP2C19
SCHEMBL4171082 0.76 MAOB (0.48) SLC6A2SLC6A3ADRA1AHTR2BCYP2C19

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
US-9271967-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2016-03-01 US disclosed
US-9271967-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2016-03-01 US disclosed
EP-2649069-B1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed