SCHEMBL4789557

SCHEMBL4789557

O=C1NCCC1Oc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.44
SLC6A2 P23975 5/20 0.44
SLC6A3 Q01959 5/20 0.44
DDB1 Q16531 7/20 0.41
CRBN Q96SW2 7/20 0.41
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36

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
SCHEMBL29779407 0.83 DDB1 (0.41) DDB1CRBNFPR2PSEN1PSEN2
SCHEMBL15632988 0.83 DDB1 (0.41) DDB1CRBNFPR2
SCHEMBL20613502 0.83 DDB1 (0.41) DDB1CRBNFPR2
SCHEMBL15632987 0.83 DDB1 (0.41) DDB1CRBNFPR2
SCHEMBL19297511 0.83 DDB1 (0.41) DDB1CRBNFPR2PSEN1PSEN2
SCHEMBL16148496 0.82 DDB1 (0.60) SLC6A4SLC6A2SLC6A3DDB1CRBN
SCHEMBL16465787 0.80 DDB1 (0.54) DDB1CRBN
SCHEMBL15633784 0.80 DDB1 (0.54) DDB1CRBN
SCHEMBL23633021 0.79 SCN9A (0.49) DDB1CRBNFPR2
SCHEMBL15633085 0.79 FPR2 (0.42) SLC6A4SLC6A2SLC6A3DDB1CRBN

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
WO-2008150231-A1 NEW HETEROCYCLIC COMPOUNDS FOR TREATMENT OF RESPIRATORY, AIRWAY OR INFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 2008-12-11 WO claimed
WO-2008150231-A1 NEW HETEROCYCLIC COMPOUNDS FOR TREATMENT OF RESPIRATORY, AIRWAY OR INFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
WO-2008150231-A1 NEW HETEROCYCLIC COMPOUNDS FOR TREATMENT OF RESPIRATORY, AIRWAY OR INFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 2008-12-11 WO disclosed