SCHEMBL5794903

SCHEMBL5794903

C[C@H](N[C@@H]1C(=O)N(C)[C@H](c2ccccc2)CC[C@H]1c1ccccc1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.53
SIGMAR1 Q99720 1/20 0.37
HSD17B2 P37059 3/20 0.35
HTT P42858 1/20 0.35
SLC6A3 Q01959 6/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL5794905 0.81 XIAP (0.42) KDM1A
SCHEMBL5792639 0.77 KDM1A (0.56) KDM1AHRH3
SCHEMBL5765661 0.75 KDM1A (0.54) KDM1ASIGMAR1HTTHRH3
SCHEMBL5761133 0.75 KDM1A (0.54) KDM1ASIGMAR1HTTHRH3
SCHEMBL5762404 0.75 KDM1A (0.54) KDM1ASIGMAR1HTTHRH3
SCHEMBL5793048 0.74 KDM1A (0.47) KDM1ASIGMAR1
SCHEMBL5793810 0.74 KDM1A (0.47) KDM1ASIGMAR1
SCHEMBL5821182 0.74 KDM1A (0.46) KDM1AHTT
SCHEMBL5792160 0.74 KDM1A (0.46) KDM1AHTT
SCHEMBL5762783 0.73 KDM1A (0.54) KDM1A

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 2 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