SCHEMBL8635453

SCHEMBL8635453

c1ccc(CSc2ccccc2C2(N3CCCCC3)CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
PRCP P42785 2/20 0.50
SLC6A3 Q01959 2/20 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
GRIN3A Q8TCU5 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.41
MAPT P10636 2/20 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
SCHEMBL7698467 0.79 KMT2A (0.38) SIGMAR1GRIN1GRIN2AGRIN2BPRCP
SCHEMBL7695738 0.75 PAK4 (0.39) MEN1KMT2ATSHR
SCHEMBL7701489 0.75 PAK4 (0.39) MEN1KMT2ATSHR
SCHEMBL7700807 0.75 PAK4 (0.39) MEN1KMT2ATSHR
SCHEMBL7437101 0.70 SIGMAR1 (0.46) SIGMAR1GRIN1GRIN2AGRIN2BPRCP
Rolicyclidine SCHEMBL517928 0.68 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BPRCP
Phencyclidine SCHEMBL17008793 0.68 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BPRCP
SCHEMBL9153279 0.68 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BPRCP
Phencyclidine SCHEMBL42022 0.68 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BPRCP
SCHEMBL23595707 0.67 SIGMAR1 (0.55) SIGMAR1GRIN1GRIN2AGRIN2BPRCP

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