SCHEMBL16795340

SCHEMBL16795340

O=C(O)N1CCC(NCc2cc(F)ccc2O)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.46
ACHE P22303 7/20 0.46
BACE1 P56817 7/20 0.46
PABPC1 P11940 1/20 0.46
SIGMAR1 Q99720 2/20 0.43
MAPK14 Q16539 3/20 0.42
SLC2A1 P11166 1/20 0.41
DRD4 P21917 1/20 0.40
CCR3 P51677 1/20 0.40
OPRL1 P41146 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ANO1 Q5XXA6 1/20 0.40

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
SCHEMBL20766340 0.86 BCHE (0.62) BCHEACHEBACE1SIGMAR1DRD4
SCHEMBL16269109 0.82 P2RX7 (0.50) BCHEACHEBACE1
SCHEMBL3712791 0.80 ACHE (0.60) BCHEACHEBACE1SIGMAR1DRD4
SCHEMBL16946738 0.78 BCHE (0.46) BCHEACHEBACE1PABPC1MAPK14
SCHEMBL4486493 0.77 P2RX7 (0.48) BCHEACHEBACE1OPRL1
SCHEMBL4484252 0.77 TEAD1 (0.45) BCHEACHEBACE1SIGMAR1OPRL1
SCHEMBL16795376 0.77 PABPC1 (0.51) BCHEACHEBACE1PABPC1MAPK14
SCHEMBL4482088 0.77 OPRL1 (0.53) BCHEACHEBACE1OPRL1
Hydrochloric Acid SCHEMBL16795222 0.76 PABPC1 (0.50) BCHEACHEBACE1PABPC1MAPK14
SCHEMBL20765886 0.75 BCHE (0.55) BCHEACHEBACE1SIGMAR1DRD4

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