SCHEMBL2487809

SCHEMBL2487809

CN1CCN(CCOc2nc(-c3ccccc3C(F)(F)F)cc3nc(-c4c(Cl)c(C(C)(C)C)nn4C)[nH]c23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.46
ACP1 P24666 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 2/20 0.35
HRH4 Q9H3N8 6/20 0.35
NTRK1 P04629 1/20 0.34
DRD3 P35462 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
MAPK1 P28482 1/20 0.33
RUNX1 Q01196 2/20 0.33
NPY5R Q15761 1/20 0.33
TSHR P16473 2/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL19580174 0.95 TRPM8 (0.46) TRPM8ACP1CYP1A2CYP2C19CYP2D6
SCHEMBL2485403 0.93 TRPM8 (0.45) TRPM8ACP1CYP1A2CYP2C19CYP3A4
SCHEMBL2486272 0.91 TRPM8 (0.56) TRPM8CYP1A2CYP2C19HRH4DRD3
SCHEMBL2445245 0.89 TRPM8 (0.51) TRPM8ACP1CYP1A2CYP2C19CYP3A4
SCHEMBL2445464 0.89 TRPM8 (0.49) TRPM8ACP1CYP1A2CYP2C19CYP3A4
SCHEMBL2448023 0.87 TRPM8 (0.47) TRPM8ACP1CYP1A2CYP2C19CYP3A4
SCHEMBL12331742 0.87 TRPM8 (0.47) TRPM8ACP1CYP1A2CYP2C19CYP3A4
SCHEMBL2446624 0.86 TRPM8 (0.46) TRPM8ACP1CYP1A2CYP2C19CYP3A4
SCHEMBL19580157 0.86 TRPM8 (0.57) TRPM8ACP1TSHRKCNH2
SCHEMBL2443853 0.85 TRPM8 (0.59) TRPM8ACP1NPY5R

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-2542552-B1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-15 EP disclosed
EP-2542552-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS Janssen Pharmaceutica, N.V. (BE) 2013-01-09 EP disclosed
WO-2011109587-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-09 WO disclosed