SCHEMBL6679599

SCHEMBL6679599

Clc1ccccc1CCCCBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
IDO1 P14902 3/20 0.46
PNMT P11086 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
AOC3 Q16853 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
CHRM2 P08172 1/20 0.42
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DAO P14920 1/20 0.40

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
SCHEMBL8071207 0.98 TAAR1 (0.52) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL8070948 0.98 TAAR1 (0.52) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL7562064 0.98 TAAR1 (0.52) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL7562209 0.98 TAAR1 (0.52) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL7563447 0.98 TAAR1 (0.52) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL8071297 0.98 TAAR1 (0.52) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL6681501 0.93 TAAR1 (0.56) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL1822278 0.86 TAAR1 (0.62) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL320795 0.84 TAAR1 (0.60) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL29447950 0.84 TAAR1 (0.60) TAAR1IDO1PNMTSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0637580-B1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL CO (JP) 2002-08-14 EP disclosed
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed
US-5262420-A Phenylalkylpyridines IDEMITSU KOSAN CO., LTD. (JP) 1993-11-16 US disclosed