SCHEMBL8635455

SCHEMBL8635455

c1ccc2c(C3(N4CCCCC4)CCCCC3)scc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GRIN1 Q05586 3/20 0.50
GRIN2A Q12879 3/20 0.50
GRIN2B Q13224 3/20 0.50
SLC6A3 Q01959 2/20 0.50
PRCP P42785 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
CYP2B6 P20813 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
KCNH2 Q12809 1/20 0.50
GRIN2C Q14957 1/20 0.50

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
SCHEMBL7695733 0.73 MAPT (0.38) MEN1KMT2A
SCHEMBL7701486 0.73 MAPT (0.38) MEN1KMT2A
SCHEMBL9594231 0.73 SIGMAR1 (0.54) SIGMAR1MEN1KMT2AGRIN1GRIN2A
SCHEMBL9153279 0.68 SIGMAR1 (1.00) SIGMAR1MEN1KMT2AGRIN1GRIN2A
Rolicyclidine SCHEMBL517928 0.68 SIGMAR1 (1.00) SIGMAR1MEN1KMT2AGRIN1GRIN2A
Phencyclidine SCHEMBL17008793 0.68 SIGMAR1 (1.00) SIGMAR1MEN1KMT2AGRIN1GRIN2A
Phencyclidine SCHEMBL42022 0.68 SIGMAR1 (1.00) SIGMAR1MEN1KMT2AGRIN1GRIN2A
SCHEMBL9594162 0.67 SIGMAR1 (0.64) SIGMAR1MEN1KMT2AGRIN1GRIN2A
SCHEMBL12648367 0.67 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ASLC6A3PRCP
SCHEMBL988286 0.67 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ASLC6A3PRCP

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
US-5846980-A N-(benzhydryloxyalkyl)-4-(carboxy/carbamoyl methyl)-piperidine derivatives as antidepressants COOPERATION PHARMACEUTIQUE FRANCAISE (FR) 1998-12-08 US disclosed