SCHEMBL9010499

SCHEMBL9010499

CCCCC[Si]1(c2ccccc2)CCC(c2ccc(O)c(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD5 P21918 8/20 0.33
HTR1A P08908 6/20 0.33
DRD1 P21728 6/20 0.33
DRD4 P21917 6/20 0.33
DRD3 P35462 6/20 0.33
MGLL Q99685 5/20 0.32
DRD2 P14416 5/20 0.32
FAAH O00519 2/20 0.32
CNR1 P21554 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 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
SCHEMBL9010504 0.89
SCHEMBL7751081 0.88 DRD5 (0.32) DRD5HTR1ADRD1DRD4DRD3
SCHEMBL8579023 0.84 RARB (0.32) DRD5
SCHEMBL7755534 0.83 PTPN1 (0.34)
SCHEMBL8027953 0.83 USP5 (0.31) DRD2
SCHEMBL8027949 0.83 USP5 (0.31) DRD2
SCHEMBL7755532 0.83 PTPN1 (0.34)
SCHEMBL8027948 0.83 USP5 (0.31) DRD2
SCHEMBL7755480 0.83 ESR2 (0.40)
SCHEMBL8580118 0.83 RARB (0.34) DRD5HTR1ADRD1DRD4DRD3

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
US-5582765-A Triflate compounds and process for preparing silacyclohexane-based liquid crystal compounds from the triflate compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-12-10 US disclosed
EP-0700919-A2 Triflate compounds and process for preparing silacyclohexane-based liquid crystal compounds from the triflate compounds Shin-Etsu Chemical Co., Ltd. (JP) 1996-03-13 EP disclosed