SCHEMBL6854233

SCHEMBL6854233

N[C@H](CC1CC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 3/20 0.44
DPP4 P27487 2/20 0.42
F2 P00734 1/20 0.42
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
IDO1 P14902 2/20 0.39
HTR2A P28223 1/20 0.39
TAAR1 Q96RJ0 1/20 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
SCHEMBL3061093 1.00 SCN4A (0.44) SCN4ADPP4F2GRIN2DGRIN3B
SCHEMBL5455701 1.00 SCN4A (0.44) SCN4ADPP4F2GRIN2DGRIN3B
SCHEMBL10349212 0.92 METAP2 (0.43) SCN4ADPP4IDO1
SCHEMBL28672429 0.90 METAP2 (0.46) SCN4AIDO1
SCHEMBL12927229 0.90 METAP2 (0.46) SCN4AIDO1
SCHEMBL9009370 0.90 METAP2 (0.46) SCN4AIDO1
SCHEMBL28660567 0.90 METAP2 (0.46) SCN4AIDO1
SCHEMBL7898573 0.90 METAP2 (0.46) SCN4AIDO1
Hydrochloric Acid SCHEMBL9009360 0.88 IDO1 (0.46) SCN4AIDO1
SCHEMBL8494340 0.84 OPRM1 (0.47) SCN4A

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-2011013644-A1 SUBSTITUTED PIPERIDINE COMPOUND 第一三共株式会社 (JP) 2011-02-03 WO disclosed