SCHEMBL14935005

SCHEMBL14935005

Cc1cnc(C2(CN)CC2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 17/20 0.38
SLC6A4 P31645 16/20 0.38
SLC6A2 P23975 3/20 0.38
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
P2RX7 Q99572 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
SCHEMBL14919971 0.83 PLAU (0.39) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL16197589 0.74 SLC6A4 (0.34) SLC6A3SLC6A4SLC6A2
SCHEMBL14920371 0.71 MAOA (0.38) SLC6A3SLC6A4SLC6A2NOS3NOS1
SCHEMBL31446629 0.69 RAB9A (0.40) P2RX7
SCHEMBL12614852 0.67 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL31368996 0.67 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2
SCHEMBL31368804 0.67 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2
SCHEMBL14934983 0.66 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL15999649 0.66 NOS3 (0.34) NOS3NOS1NOS2TAAR1
SCHEMBL118541 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013064521-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-05-10 WO disclosed