SCHEMBL5505247

SCHEMBL5505247

O=C(O)N1CC[C@H](NCc2ccccc2-c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.52
SLC6A3 Q01959 2/20 0.52
SLC6A4 P31645 1/20 0.52
BCHE P06276 4/20 0.45
ACHE P22303 4/20 0.45
BACE1 P56817 4/20 0.45
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
TSHR P16473 1/20 0.41
DRD4 P21917 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
TEAD1 P28347 2/20 0.39
LTA4H P09960 2/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 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
SCHEMBL4126621 0.84 USP30 (0.56) SLC6A2SLC6A3SLC6A4
SCHEMBL4141424 0.84 USP30 (0.56) SLC6A2SLC6A3SLC6A4
SCHEMBL18919696 0.83 BCHE (0.46) BCHEACHEBACE1DRD4TEAD1
SCHEMBL18919693 0.83 BCHE (0.46) BCHEACHEBACE1DRD4TEAD1
SCHEMBL4477218 0.82 HCRTR1 (0.41) TSHRDRD4
SCHEMBL16269315 0.81 ACHE (0.60) BCHEACHEBACE1DRD4TEAD1
SCHEMBL1189971 0.81 ACHE (0.60) BCHEACHEBACE1DRD4TEAD1
SCHEMBL4480453 0.80 SIGMAR1 (0.53) BCHEACHEBACE1TEAD1KMT2A
SCHEMBL4476067 0.80 SIGMAR1 (0.53) BCHEACHEBACE1TEAD1KMT2A
SCHEMBL19970345 0.80 SIGMAR1 (0.53) BCHEACHEBACE1TEAD1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828122-A2 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2007-09-05 EP disclosed
WO-2006064351-A2 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2006-06-22 WO disclosed