SCHEMBL5762783

SCHEMBL5762783

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.54
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.37
GRIA4 P48058 2/20 0.36
F2RL1 P55085 1/20 0.35
KLK5 Q9Y337 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL5763037 1.00 KDM1A (0.54) KDM1AKCNQ3KCNQ2ALDH1A1KDM4E
SCHEMBL5765661 0.81 KDM1A (0.54) KDM1AKCNQ3KCNQ2ALDH1A1
SCHEMBL5763042 0.81 ALDH1A1 (0.41) KDM1AKCNQ3KCNQ2ALDH1A1KDM4E
SCHEMBL5762404 0.81 KDM1A (0.54) KDM1AKCNQ3KCNQ2ALDH1A1
SCHEMBL5761133 0.81 KDM1A (0.54) KDM1AKCNQ3KCNQ2ALDH1A1
SCHEMBL5762788 0.81 ALDH1A1 (0.41) KDM1AKCNQ3KCNQ2ALDH1A1KDM4E
SCHEMBL5763397 0.80 KDM1A (0.56) KDM1AF2RL1
SCHEMBL5761075 0.80 KDM1A (0.56) KDM1AF2RL1
SCHEMBL5763512 0.80 KDM1A (0.56) KDM1AF2RL1
SCHEMBL5791325 0.75 KDM1A (0.49) 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 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