SCHEMBL3263286

SCHEMBL3263286

O=CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.58
HTR1A P08908 2/20 0.58
ADRA2A P08913 2/20 0.58
CHRM1 P11229 2/20 0.58
DRD1 P21728 2/20 0.58
TBXA2R P21731 2/20 0.58
SLC6A2 P23975 2/20 0.58
SLC6A4 P31645 2/20 0.58
ADRA1A P35348 2/20 0.58
DRD3 P35462 2/20 0.58
SLC6A3 Q01959 2/20 0.58
KCNH2 Q12809 2/20 0.58
BCL2 P10415 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
CYP2D6 P10635 4/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP19A1 P11511 1/20 0.56
GPX4 P36969 4/20 0.54

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
SCHEMBL3263616 0.83 CHRM2 (0.60) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL3261754 0.82 ACHE (0.54) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL7668121 0.81 CHRM2 (0.83) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL8305212 0.78 CACNA2D1 (0.54) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL7895706 0.78 DRD3 (0.61) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL3263282 0.76 GPX4 (0.58) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL25069185 0.76 CYP2D6 (0.61) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL25068897 0.76 CHRM2 (0.64) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL2056217 0.76 CHRM2 (0.86) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL16757326 0.75 CYP2D6 (0.66) CHRM2HTR1AADRA2ACHRM1DRD1

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-2146991-B1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-28 EP disclosed
EP-2146991-A2 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-01-27 EP disclosed
WO-2008145842-A2 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-12-04 WO disclosed