SCHEMBL3785663

SCHEMBL3785663

C[Si](C)(C)c1ccc(NC(=O)N2CCN(c3c(Cl)cncc3Cl)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
NPSR1 Q6W5P4 2/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 4/20 0.61
HCAR2 Q8TDS4 1/20 0.57
KDM4E B2RXH2 2/20 0.54
TRPV1 Q8NER1 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
PANK3 Q9H999 3/20 0.47
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
TRPA1 O75762 1/20 0.46
KCNH2 Q12809 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46

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
SCHEMBL16707641 0.85 HCAR2 (0.72) MAPTNPSR1ALDH1A1LMNAHCAR2
SCHEMBL3710143 0.81 SMN1; SMN2 (0.65) MAPTNPSR1ALDH1A1LMNATRPV1
SCHEMBL16707625 0.81 MAPT (0.74) MAPTNPSR1ALDH1A1LMNAHCAR2
SCHEMBL3709422 0.80 LMNA (0.53) MAPTNPSR1ALDH1A1LMNAKDM4E
SCHEMBL17029145 0.79 LMNA (0.76) MAPTNPSR1ALDH1A1LMNAHCAR2
SCHEMBL3716459 0.79 P2RY12 (0.60) MAPTALDH1A1LMNATRPV1POLB
SCHEMBL3714314 0.79 TRPV1 (0.60) NPSR1ALDH1A1LMNATRPV1SMN1; SMN2
SCHEMBL3707073 0.79 MAPT (0.52) MAPTNPSR1ALDH1A1LMNAKDM4E
SCHEMBL3785601 0.79 TRPV1 (0.72) MAPTALDH1A1LMNAKDM4ETRPV1
SCHEMBL3710357 0.78 TRPV1 (0.74) TRPV1TRPA1KCNH2TRPM8

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