SCHEMBL6014982

SCHEMBL6014982

C[Si](C)(C)CCOCn1cc(CN(C(=O)O)C2CCN(Cc3ccccc3)CC2)nc1CO

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
UBE2M P61081 5/20 0.43
DCUN1D1 Q96GG9 5/20 0.43
LMNA P02545 2/20 0.41
SIGMAR1 Q99720 2/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL949665 0.90 UBE2M (0.42) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL949892 0.87 OPRM1 (0.46) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL3448469 0.83 OPRM1 (0.48) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL949666 0.81 OPRM1 (0.37) OPRM1CHRM2CHRM3SIGMAR1DRD2
SCHEMBL948539 0.79 OPRM1 (0.41) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL948385 0.74 OPRM1 (0.42) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL6220319 0.72 DCUN1D1 (0.51) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL6219028 0.71 DCUN1D1 (0.52) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL948540 0.70 OPRM1 (0.37) OPRM1CHRM2CHRM3LMNASIGMAR1
SCHEMBL6218807 0.70 UBE2M (0.49) OPRM1CHRM2CHRM3UBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed