SCHEMBL6906704

SCHEMBL6906704

CN(C)CCC(CO)(c1ccc(F)cc1)c1ccc(Br)cc1CO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.35
SLC6A2 P23975 2/20 0.35
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLQ O75417 1/20 0.33
FLT3 P36888 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL5931958 0.99 SLC6A4 (0.34) SLC6A4SLC6A2MAPK1HSD17B10POLQ
SCHEMBL6414489 0.80 BCL2 (0.45) SLC6A4SLC6A2MAPK1HSD17B10FLT3
SCHEMBL2074588 0.80 BCL2 (0.45) SLC6A4SLC6A2MAPK1HSD17B10FLT3
Hydrochloric Acid SCHEMBL6404976 0.79 BCL2 (0.44) SLC6A4SLC6A2MAPK1HSD17B10FLT3
SCHEMBL6570235 0.74 MAPK1 (0.34) SLC6A4SLC6A2MAPK1HSD17B10POLQ
SCHEMBL8297599 0.71 SLC6A4 (0.37) SLC6A4POLQFLT3TAAR1KCNH2
SCHEMBL7380040 0.68 BCL2 (0.61) SLC6A4SLC6A2MEN1KMT2AKCNH2
SCHEMBL27778749 0.68 MAPK1 (0.34) SLC6A4SLC6A2MAPK1HSD17B10
SCHEMBL23333193 0.67 BCL2 (0.46) POLQMEN1KMT2AKCNH2
SCHEMBL28444599 0.66 BCL2 (0.58) SLC6A4KMT2AKCNH2

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-6812355-B2 INVOLVING TWO SUCCESSIVE GRIGNARD REACTIONS; EMPLOYING LEWIS ACID TO REDUCING BY-PRODUCT FORMATION SEKHSARIA CHEMICALS LIMITED (IN) 2004-11-02 US disclosed
EP-1288211-A1 Improved process for the manufacture of citalopram hydrobromide from 5-bromophthalide Sekhsaria Chemicals Ltd. (IN) 2003-03-05 EP disclosed