SCHEMBL9128671

SCHEMBL9128671

O=C(O)C1CCCCN1C1(c2ccccc2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
CYP2B6 P20813 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
PRCP P42785 1/20 0.51
SLC6A3 Q01959 1/20 0.51
GRIN1 Q05586 1/20 0.51
KCNH2 Q12809 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD11B1 P28845 2/20 0.43
CNR2 P34972 1/20 0.41

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
SCHEMBL9741772 0.78 SIGMAR1 (0.56) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL3110923 0.78 SIGMAR1 (0.56) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL9742813 0.78 SIGMAR1 (0.46) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL23595711 0.71 SIGMAR1 (0.54) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL9129917 0.70 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
Rolicyclidine SCHEMBL517928 0.69 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
Phencyclidine SCHEMBL42022 0.69 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL9153279 0.69 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
Phencyclidine SCHEMBL17008793 0.69 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL1262334 0.68 SIGMAR1 (0.69) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0459387-B1 Phencyclidine and phencyclidine metabolites assay, tracers, immunogens, antibodies and reagent kit ABBOTT LAB (US) 1995-09-20 EP disclosed
US-5407834-A Monoclonal antibody which binds phencyclidine and metabolites, raised against specified immunogen, lacking specifed cross reactivity ABBOTT LABORATORIES (US) 1995-04-18 US disclosed
US-5155212-A Substituted phencyclidine compound linked to polyamino acid ABBOTT LABORATORIES (US) 1992-10-13 US disclosed
EP-0459387-A2 Phencyclidine and phencyclidine metabolites assay, tracers, immunogens, antibodies and reagent kit ABBOTT LABORATORIES (US) 1991-12-04 EP disclosed