SCHEMBL5761723

SCHEMBL5761723

C[C@H](N[C@H]1C[C@@H](c2ccccc2)CCNC1=O)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.52
MASP2 O00187 5/20 0.42
SLC6A2 P23975 1/20 0.41
F2 P00734 5/20 0.41
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 1/20 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
SCHEMBL5763034 1.00 KDM1A (0.52) KDM1AMASP2SLC6A2F2AKR1C3
SCHEMBL5763990 0.81 KDM1A (0.50) KDM1AMASP2F2KCNH2HRH3
SCHEMBL5764621 0.81 KDM1A (0.50) KDM1AMASP2F2KCNH2HRH3
SCHEMBL5761997 0.81 KDM1A (0.52) KDM1AMASP2F2KCNH2HRH3
SCHEMBL5763039 0.81 MASP2 (0.42) MASP2F2ALDH1A1KDM4E
SCHEMBL5764222 0.81 KDM1A (0.52) KDM1AMASP2F2KCNH2HRH3
SCHEMBL5764210 0.81 KDM1A (0.52) KDM1AMASP2F2KCNH2HRH3
SCHEMBL5761726 0.81 MASP2 (0.42) MASP2F2ALDH1A1KDM4E
SCHEMBL5762783 0.75 KDM1A (0.54) KDM1AALDH1A1KDM4E
SCHEMBL5763037 0.75 KDM1A (0.54) KDM1AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP claimed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO claimed
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed