SCHEMBL8970828

SCHEMBL8970828

CC1(C=O)CCN(CCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.56
OPRM1 P35372 7/20 0.56
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 2/20 0.53
ACHE P22303 1/20 0.51
LMNA P02545 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
DRD1 P21728 1/20 0.51
MAPT P10636 1/20 0.50
KMT2A Q03164 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
SCHEMBL8970796 0.81 SIGMAR1 (0.50) SIGMAR1OPRM1SLC6A3KCNH2ACHE
SCHEMBL8970792 0.81 SIGMAR1 (0.50) SIGMAR1OPRM1SLC6A3KCNH2ACHE
SCHEMBL3566447 0.78 SLC6A3 (0.54) SIGMAR1OPRM1SLC6A3KCNH2ACHE
SCHEMBL9151659 0.77 SMN1; SMN2 (0.60) SIGMAR1OPRM1SLC6A3KCNH2LMNA
SCHEMBL8970787 0.76 SLC6A3 (0.56) SIGMAR1OPRM1SLC6A3ACHE
SCHEMBL8970769 0.76 SLC6A3 (0.56) SIGMAR1OPRM1SLC6A3ACHEKMT2A
SCHEMBL21726765 0.76 SLC6A3 (0.59) SIGMAR1SLC6A3ACHELMNACHRM2
SCHEMBL6056974 0.75 SLC6A3 (0.83) SIGMAR1SLC6A3KCNH2ACHEMAPT
SCHEMBL13150782 0.75 SLC6A3 (0.83) SIGMAR1SLC6A3KCNH2ACHEMAPT
SCHEMBL14407778 0.75 SLC6A3 (0.83) SIGMAR1SLC6A3KCNH2ACHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480892-A SIGMA RECEPTOR ANTAGONISTS; TREATMENT OF PHYSIOLOGICAL OR DRUG INDUCED PSYCHOSIS AND DYSKINESIA THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-02 US disclosed
US-5356906-A (N-phthalimidoalkyl) piperidines useful as treatments for psychosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-18 US disclosed
WO-1993022310-A1 (N-PHTHALIMIDOALKYL)PIPERIDINES FOR THE TREATMENT OF PSYCHOSES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-11-11 WO disclosed
EP-0497843-A4 (N-PHTHALIMIDOALKYL) PIPERIDINES 1992-09-23 EP disclosed
EP-0497843-A1 (N-PHTHALIMIDOALKYL) PIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-08-12 EP disclosed
WO-1991006297-A1 (N-PHTHALIMIDOALKYL) PIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-05-16 WO disclosed