SCHEMBL7972071

SCHEMBL7972071

Clc1cccc(Cc2ccc3ccccc3n2)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 5/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
LMNA P02545 1/20 0.43
NCF1 P14598 2/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
CYP1A2 P05177 1/20 0.41
PDE10A Q9Y233 4/20 0.39
GPBAR1 Q8TDU6 3/20 0.39

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
SCHEMBL3267444 0.84 CYSLTR1 (0.57) CYSLTR1CYSLTR2LMNANCF1NOS2
SCHEMBL30879956 0.84 CYSLTR1 (0.57) CYSLTR1CYSLTR2LMNANCF1NOS2
SCHEMBL4938792 0.82 CYSLTR1 (0.55) CYSLTR1CYSLTR2LMNANCF1NOS2
SCHEMBL1568267 0.76 SMN1; SMN2 (0.57) CYSLTR1CYSLTR2LMNACYP1A2PDE10A
SCHEMBL26911035 0.76 CYSLTR1 (0.53) CYSLTR1CYSLTR2LMNANCF1NOS2
SCHEMBL17663970 0.75 PTK2 (0.48) CYSLTR1CYSLTR2LMNACYP1A2
SCHEMBL28051077 0.75 CYSLTR1 (0.46) CYSLTR1CYSLTR2CYP1A2GPBAR1
SCHEMBL30168988 0.74 NCF1 (0.58) LMNANCF1NOS2BACE1CYP1A2
SCHEMBL7252 0.74 NCF1 (0.58) LMNANCF1NOS2BACE1CYP1A2
SCHEMBL14127304 0.74 NCF1 (0.58) LMNANCF1NOS2BACE1CYP1A2

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-2001017965-A2 CYANOPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 WO disclosed