SCHEMBL16795397

SCHEMBL16795397

O=C(O)N1CCC(NCc2cccc(O)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
ACHE P22303 7/20 0.50
BACE1 P56817 7/20 0.50
TEAD1 P28347 2/20 0.48
BCHE P06276 6/20 0.48
MGLL Q99685 2/20 0.46
SSTR3 P32745 1/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44

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
SCHEMBL377906 0.86 DRD4 (0.64) DRD4ACHEBACE1TEAD1BCHE
SCHEMBL12803076 0.85 CARM1 (0.59) DRD4SIGMAR1ACHEBACE1TEAD1
SCHEMBL20570422 0.82 TEAD1 (0.71) DRD4SIGMAR1ACHEBACE1TEAD1
SCHEMBL4080791 0.81 FABP6 (0.60) DRD4ACHEBACE1BCHECARM1
SCHEMBL5680610 0.78 ALDH1A1 (0.59) SSTR3
SCHEMBL1189971 0.77 ACHE (0.60) DRD4ACHEBACE1TEAD1BCHE
SCHEMBL16269315 0.77 ACHE (0.60) DRD4ACHEBACE1TEAD1BCHE
SCHEMBL16464327 0.77 TDP1 (0.50) ACHEBACE1BCHE
SCHEMBL3712791 0.76 ACHE (0.60) DRD4SIGMAR1ACHEBACE1TEAD1
SCHEMBL6103122 0.75 MEN1 (0.60) SIGMAR1ACHEBACE1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed