SCHEMBL4667624

SCHEMBL4667624

c1ccc(C(OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.68
SLC6A4 P31645 4/20 0.64
SLC6A3 Q01959 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
TSHR P16473 2/20 0.64
SLC6A2 P23975 2/20 0.64
CYP2C19 P33261 2/20 0.64
HIF1A Q16665 2/20 0.64
TP53 P04637 1/20 0.64
MAPT P10636 1/20 0.64
CYP2C9 P11712 1/20 0.64
ALOX15 P16050 1/20 0.64
NFKB1 P19838 1/20 0.64
MAPK1 P28482 1/20 0.64
THPO P40225 1/20 0.64
MTOR P42345 1/20 0.64
RAB9A P51151 1/20 0.64
HSD17B10 Q99714 1/20 0.64

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
SCHEMBL10356303 0.92 SLC6A4 (0.70) SIGMAR1SLC6A4SLC6A3SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL10552395 0.90 SLC6A4 (0.68) SIGMAR1SLC6A4SLC6A3SMN1; SMN2CYP1A2
SCHEMBL10357800 0.90 SIGMAR1 (0.81) SIGMAR1SLC6A4SLC6A3SMN1; SMN2CYP1A2
SCHEMBL4728006 0.88 CHRNA7 (0.77) SIGMAR1SLC6A4SLC6A3SMN1; SMN2CYP1A2
SCHEMBL4667575 0.88 CYP2D6 (0.58) SIGMAR1SLC6A4SLC6A3CYP1A2CYP2D6
SCHEMBL7006203 0.85 TDP1 (0.60) SLC6A4SLC6A3CYP2D6SLC6A2MAPT
SCHEMBL10559878 0.84 SIGMAR1 (0.69) SIGMAR1SLC6A4SLC6A3SMN1; SMN2CYP1A2
SCHEMBL10356356 0.83 SLC6A4 (0.64) SIGMAR1SLC6A4SLC6A3SMN1; SMN2CYP1A2
SCHEMBL10356309 0.83 SLC6A4 (0.64) SIGMAR1SLC6A4SLC6A3SMN1; SMN2CYP1A2
SCHEMBL10356635 0.83 SLC6A4 (0.64) SIGMAR1SLC6A4SLC6A3SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930308-A1 Pharmaceutical agents for the treatment of cerebral amyloidosis NYMOX CORPORATION (CA) 2008-06-11 EP disclosed
EP-0983222-B1 PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CEREBRAL AMYLOIDOSIS NYMOX CORP (CA) 2007-11-28 EP disclosed
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