SCHEMBL16016129

SCHEMBL16016129

NOC(=O)CCc1cccc(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
MAOA P21397 2/20 0.52
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
CYP19A1 P11511 1/20 0.50
TDP1 Q9NUW8 2/20 0.44
FFAR1 O14842 1/20 0.43
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43
APP P05067 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 2/20 0.39
GLS O94925 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPRB P23467 1/20 0.38
CDC25A P30304 1/20 0.38

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
SCHEMBL1067199 0.85 SIRT2 (0.54) MAOBMAOATHRATHRBCYP19A1
Hydrochloric Acid SCHEMBL1788098 0.83 SIRT2 (0.53) MAOBMAOATHRATHRBCYP19A1
SCHEMBL1000850 0.82 MAOB (0.46) MAOBMAOATHRATHRBCYP19A1
SCHEMBL1068218 0.82 CYP4F2 (0.55) MAOBMAOATHRATHRBCYP19A1
SCHEMBL5450328 0.81 TDP1 (0.56) MAOBMAOATHRATHRBCYP19A1
SCHEMBL11433784 0.81 KMT2A (0.55) MAOBMAOATHRATHRBCYP19A1
SCHEMBL1178025 0.81 MAOA (0.46) MAOBMAOATHRATHRBCYP19A1
Hydrochloric Acid SCHEMBL3021844 0.81 CYP4F2 (0.54) MAOBMAOATHRATHRBCYP19A1
SCHEMBL360723 0.80 THRA (0.62) MAOBMAOATHRATHRBCYP19A1
SCHEMBL28186660 0.80 MAOA (0.57) MAOBMAOATHRATHRBCYP19A1

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
EP-1809601-B1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2014-09-10 EP disclosed