SCHEMBL8977327

SCHEMBL8977327

Fc1ccc(C2(CC[Mg]Br)CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.57
SLC6A4 P31645 9/20 0.53
SLC6A2 P23975 1/20 0.53
HSD11B1 P28845 2/20 0.51
S1PR1 P21453 2/20 0.41
CACNA1G O43497 1/20 0.39
S1PR3 Q99500 1/20 0.36

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
SCHEMBL8977226 0.83 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2S1PR1S1PR3
SCHEMBL14944314 0.78 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2HSD11B1S1PR1
SCHEMBL12002387 0.77 SLC6A3 (0.62) SLC6A3SLC6A4SLC6A2HSD11B1S1PR1
SCHEMBL14944312 0.75 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2HSD11B1S1PR1
SCHEMBL12002389 0.75 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2HSD11B1S1PR1
SCHEMBL12000551 0.73 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2HSD11B1S1PR1
SCHEMBL12000464 0.73 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2HSD11B1S1PR1
SCHEMBL28984515 0.73 SLC6A3 (0.61) SLC6A3SLC6A4SLC6A2HSD11B1
SCHEMBL3518807 0.73 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2HSD11B1
SCHEMBL31441138 0.73 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2HSD11B1

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-5523439-A Process for preparing silacyclohexane compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-04 US disclosed
EP-0696592-A1 Process for preparing silacyclohexane compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-02-14 EP disclosed