SCHEMBL5791864

SCHEMBL5791864

C[C@H](N[C@H]1CC=C(c2ccccc2)CNC1=O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
F2 P00734 3/20 0.33
SCN3A Q9NY46 1/20 0.33
NAAA Q02083 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
NAMPT P43490 1/20 0.32
PTGER3 P43115 1/20 0.32
FAAH O00519 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHEK1 O14757 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL5791866 0.81 TAAR1 (0.43) TAAR1
SCHEMBL5793603 0.81 KDM1A (0.42) KDM1AF2SCN3ANAAAFAAH
SCHEMBL5794394 0.78 KDM1A (0.41) KDM1AF2SCN3ANAMPTKCNH2
SCHEMBL5791597 0.77 KDM1A (0.46) KDM1AF2TAAR1FAAHALDH1A1
SCHEMBL5790580 0.72 KDM1A (0.43) KDM1AF2FAAHALDH1A1CHEK1
SCHEMBL5794093 0.71 KDM1A (0.45) KDM1AF2SCN3AFAAH
SCHEMBL5794664 0.71 KDM1A (0.45) KDM1AF2SCN3AFAAH
SCHEMBL5763990 0.71 KDM1A (0.50) KDM1AF2SCN3ANAAAKCNH2
SCHEMBL5764621 0.71 KDM1A (0.50) KDM1AF2SCN3ANAAAKCNH2
SCHEMBL4838423 0.71 PSEN1 (0.47)

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