SCHEMBL3261748

SCHEMBL3261748

O=[C]N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.54
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CACNA1B Q00975 2/20 0.48
ATM Q13315 2/20 0.48
CACNA2D1 P54289 1/20 0.48
CACNB1 Q02641 1/20 0.48
CACNA1C Q13936 1/20 0.48
MGLL Q99685 2/20 0.46
FAAH O00519 1/20 0.46
IGF1R P08069 1/20 0.46
OPRM1 P35372 3/20 0.45
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
OPRL1 P41146 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 3/20 0.44
CYP2D6 P10635 2/20 0.44
ADRA1A P35348 2/20 0.44
HIF1A Q16665 2/20 0.44

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
SCHEMBL3263282 0.84 GPX4 (0.58) MEN1KMT2ACACNA1BCACNA2D1CACNB1
SCHEMBL10371605 0.82 ACHE (0.54) ACHEMEN1KMT2ACACNA1BATM
SCHEMBL3263615 0.81 CHRM2 (0.58) MEN1KMT2ACACNA1BATMCACNA2D1
SCHEMBL5740502 0.76 ACHE (0.51) ACHEMEN1KMT2ACACNA1BATM
SCHEMBL917471 0.76 CACNA2D1 (0.59) ACHEMEN1KMT2ACACNA1BATM
SCHEMBL16227288 0.76 ACHE (0.59) ACHEMEN1KMT2ACACNA1BATM
SCHEMBL9813068 0.76 ACHE (0.59) ACHEMEN1KMT2ACACNA1BATM
SCHEMBL7395502 0.76 CYP2D6 (0.66) ACHEMEN1KMT2ACACNA1BCACNA2D1
SCHEMBL3261754 0.75 ACHE (0.54) ACHEMEN1KMT2ACACNA1BATM
SCHEMBL14280201 0.75 ACHE (0.71) ACHEMEN1KMT2AOPRM1OPRD1

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