SCHEMBL8097776

SCHEMBL8097776

Cc1ccccc1C(OCCN1CCNCC1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.79
SIGMAR1 Q99720 3/20 0.75
CYP2D6 P10635 3/20 0.54
SLC6A4 P31645 3/20 0.54
SLC6A3 Q01959 3/20 0.54
SLC22A1 O15245 2/20 0.54
CHRM2 P08172 2/20 0.54
ADRA2A P08913 2/20 0.54
CHRM1 P11229 2/20 0.54
DRD1 P21728 2/20 0.54
SLC6A2 P23975 2/20 0.54
CYP2C19 P33261 2/20 0.54
ADRA1A P35348 2/20 0.54
OPRM1 P35372 2/20 0.54
DRD3 P35462 2/20 0.54
KCNH2 Q12809 2/20 0.54
CYP3A4 P08684 2/20 0.54
SLC22A2 O15244 1/20 0.54
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54

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
SCHEMBL6255520 0.86 SIGMAR1 (1.00) SIGMAR1CYP2D6SLC6A4SLC6A3SLC22A1
SCHEMBL9242632 0.84 SIGMAR1 (0.84) CHRNA7SIGMAR1CYP2D6SLC6A4SLC6A3
SCHEMBL9240199 0.84 SIGMAR1 (0.89) CHRNA7SIGMAR1CYP2D6SLC6A4SLC6A3
SCHEMBL4728006 0.84 CHRNA7 (0.77) CHRNA7SIGMAR1CYP2D6SLC6A4SLC6A3
SCHEMBL31420201 0.80 SIGMAR1 (0.86) SIGMAR1CYP2D6SLC6A4SLC6A3SLC22A1
SCHEMBL9050633 0.79 SIGMAR1 (0.84) SIGMAR1CYP2D6SLC6A4SLC6A3SLC22A1
SCHEMBL4667597 0.79 CYP2D6 (0.76) CHRNA7CYP2D6SLC6A4SLC6A3SLC22A1
SCHEMBL6985333 0.78 SIGMAR1 (0.83) SIGMAR1CYP2D6SLC6A4SLC6A3SLC6A2
SCHEMBL27518935 0.77 SIGMAR1 (0.80) SIGMAR1CYP2D6SLC6A4SLC6A3SLC22A1
SCHEMBL6981300 0.77 SIGMAR1 (0.81) SIGMAR1CYP2D6SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983222-A1 PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CEREBRAL AMYLOIDOSIS NYMOX CORPORATION (CA) 2000-03-08 EP disclosed
WO-1998052898-A9 PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CEREBRAL AMYLOIDOSIS NYMOX CORP (CA) 1999-04-01 WO disclosed
WO-1998052898-A1 PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CEREBRAL AMYLOIDOSIS NYMOX CORPORATION (CA) 1998-11-26 WO disclosed