SCHEMBL8076090

SCHEMBL8076090

C=CCCCc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
TLR8 Q9NR97 1/20 0.45
IDO1 P14902 3/20 0.43
PNMT P11086 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
AOC3 Q16853 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
CHRM2 P08172 1/20 0.40
ALDH1A1 P00352 1/20 0.39
DAO P14920 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL30462202 1.00 TAAR1 (0.50) TAAR1TLR8IDO1PNMTSLC6A2
SCHEMBL248775 0.94 TAAR1 (0.48) TAAR1TLR8IDO1PNMTSLC6A2
SCHEMBL8071303 0.92 TAAR1 (0.47) TAAR1TLR8IDO1PNMTSLC6A2
SCHEMBL8072572 0.92 TAAR1 (0.47) TAAR1TLR8IDO1PNMTSLC6A2
SCHEMBL8062063 0.92 TAAR1 (0.47) TAAR1TLR8IDO1PNMTSLC6A2
SCHEMBL8076546 0.92 TAAR1 (0.47) TAAR1TLR8IDO1PNMTSLC6A2
SCHEMBL248652 0.88 TAAR1 (0.54) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL3267837 0.80 TAAR1 (0.50) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL1822278 0.78 TAAR1 (0.62) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL8802702 0.77 IDO1 (0.47) TLR8IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283474-A Method for catalyzing olefin migration by palladium 常州大学 2023-06-23 CN disclosed
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US 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