SCHEMBL3716459

SCHEMBL3716459

C[Si](C)(C)c1ccc(NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 8/20 0.60
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
CNR2 P34972 1/20 0.55
TRPV1 Q8NER1 6/20 0.55
TRPA1 O75762 1/20 0.53
KCNH2 Q12809 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.53

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
SCHEMBL6431643 0.87 P2RY12 (0.71) P2RY12MAPTTRPV1
SCHEMBL13931689 0.86 TRPV1 (0.72) ALDH1A1LMNAPOLBMAPTHPGD
SCHEMBL3710357 0.83 TRPV1 (0.74) TRPV1TRPA1KCNH2TRPM8
SCHEMBL3709422 0.83 LMNA (0.53) ALDH1A1LMNAPOLBMAPTTRPV1
SCHEMBL3790379 0.80 P2RY12 (0.79) P2RY12
SCHEMBL3707073 0.80 MAPT (0.52) ALDH1A1LMNAPOLBMAPTTRPV1
SCHEMBL3785663 0.79 MAPT (0.67) ALDH1A1LMNAPOLBMAPTTRPV1
SCHEMBL3710143 0.78 SMN1; SMN2 (0.65) ALDH1A1LMNAPOLBMAPTTRPV1
SCHEMBL6433813 0.76 CNR2 (0.71) P2RY12ALDH1A1LMNAPOLBMAPT
SCHEMBL18362064 0.75 PHGDH (0.52) P2RY12ALDH1A1LMNAMAPTHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010092342-A1 ORGANOSILICON COMPOUNDS AND THEIR USE AS THE MODULATORS OF THE TRPV1 RECEPTOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 WO disclosed