SCHEMBL5732344

SCHEMBL5732344

CC(C)(C)[Si](C)(C)OC(CCCCl)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
APLNR P35414 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC6A4 P31645 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL5734584 0.87 CA2 (0.40) CA2APLNRALDH1A1SLC6A4
SCHEMBL1473224 0.86 CA2 (0.47) CA2APLNRKDM4EALDH1A1SLC6A4
SCHEMBL4190771 0.86 CA2 (0.47) CA2APLNRKDM4EALDH1A1SLC6A4
SCHEMBL4191651 0.86 CA2 (0.47) CA2APLNRKDM4EALDH1A1SLC6A4
SCHEMBL5733279 0.85 SIRT2 (0.34) SIRT2SLC6A4HRH3
SCHEMBL5732547 0.79 PYCR1 (0.33) SIRT2SLC6A4HRH3
SCHEMBL27933551 0.77 CA2 (0.36) CA2SLC6A4
SCHEMBL6030607 0.76 CA2 (0.37) CA2KDM4ESLC6A4HRH3
SCHEMBL9645747 0.75 PYCR1 (0.38) CA2APLNRALDH1A1
SCHEMBL9378549 0.75 CYP2D6 (0.40) KDM4EALDH1A1SLC6A4HRH3

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
WO-2006034092-A2 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES AMR TECHNOLOGY, INC. (US) 2006-03-30 WO disclosed
WO-2006034091-A2 PROCESS FOR PRODUCTION OF CAREBASTINE AMR TECHNOLOGY, INC. (US) 2006-03-30 WO disclosed