SCHEMBL2485403

SCHEMBL2485403

Cn1nc(C(C)(C)C)c(Cl)c1-c1nc2cc(-c3ccccc3C(F)(F)F)nc(OCCN3CCOCC3)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.45
CYP1A2 P05177 5/20 0.39
CYP2D6 P10635 5/20 0.39
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TRPV4 Q9HBA0 1/20 0.37
CYP3A4 P08684 4/20 0.37
USP2 O75604 2/20 0.37
RUNX1 Q01196 2/20 0.37
PDE2A O00408 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
CYP2C19 P33261 3/20 0.36
HIF1A Q16665 2/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACHE P22303 2/20 0.36
TSHR P16473 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ACP1 P24666 1/20 0.35
ADORA2A P29274 1/20 0.35

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 0.94 TRPM8 (0.46) TRPM8CYP1A2CYP2D6ALDH1A1PDE2A
SCHEMBL2487809 0.93 TRPM8 (0.46) TRPM8CYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL19580159 0.91 TRPM8 (0.55) TRPM8CYP1A2ALOX15ALDH1A1TRPV4
SCHEMBL2445245 0.87 TRPM8 (0.51) TRPM8CYP1A2CYP2D6ALOX15ALDH1A1
SCHEMBL2445464 0.87 TRPM8 (0.49) TRPM8CYP1A2ALOX15CYP3A4CYP2C19
SCHEMBL2446624 0.86 TRPM8 (0.46) TRPM8CYP1A2ALOX15CYP3A4CYP2C19
SCHEMBL12331742 0.86 TRPM8 (0.47) TRPM8CYP1A2CYP2D6ALOX15ALDH1A1
SCHEMBL2448023 0.86 TRPM8 (0.47) TRPM8CYP1A2ALOX15CYP3A4CYP2C19
SCHEMBL19580157 0.84 TRPM8 (0.57) TRPM8PDE2AACHETSHRACP1
SCHEMBL2452146 0.84 NPY5R (0.43) TRPM8CYP1A2CYP2D6ALOX15ALDH1A1

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