SCHEMBL20876288

SCHEMBL20876288

C[CH]C1(c2ccc(F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 2/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.35
HSD11B1 P28845 2/20 0.34
DAO P14920 1/20 0.33
NFE2L2 Q16236 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRND Q07001 1/20 0.32
LIG1 P18858 1/20 0.32
OPRM1 P35372 1/20 0.31

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
SCHEMBL1836883 0.77 MAOB (0.39) SLC6A3SLC6A4SLC6A2MAOBMAOA
SCHEMBL498413 0.76 OPRL1 (0.50) MAOBMAOAOPRM1
SCHEMBL7241994 0.76 MAOB (0.38) SLC6A3SLC6A4SLC6A2MAOBMAOA
SCHEMBL15043629 0.75 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2MAOBMAOA
SCHEMBL15043624 0.74 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2MAOBMAOA
SCHEMBL8676816 0.74 SLC6A3 (0.34) SLC6A3SLC6A4SLC6A2MAOBMAOA
SCHEMBL15043707 0.70 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2HSD11B1OPRM1
SCHEMBL8530637 0.69 SLC6A3 (0.36) SLC6A3SLC6A4SLC6A2MAOBMAOA
SCHEMBL8530639 0.69 SLC6A3 (0.36) SLC6A3SLC6A4SLC6A2MAOBMAOA
SCHEMBL9230998 0.69 MAOB (0.43) SLC6A3SLC6A4SLC6A2MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692019-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES Syngenta Participations AG (CH) 2020-08-12 EP disclosed
CN-111183133-A Microbicidal picolinamide derivatives 先正达参股股份有限公司 2020-05-19 CN disclosed
WO-2019068812-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-04-11 WO disclosed