SCHEMBL5791597

SCHEMBL5791597

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
F2 P00734 3/20 0.36
TAAR1 Q96RJ0 1/20 0.31
FAAH O00519 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL5791600 0.82 TAAR1 (0.41) F2TAAR1
SCHEMBL5794319 0.79 KDM1A (0.45) KDM1A
SCHEMBL5795404 0.79 KDM1A (0.45) KDM1A
SCHEMBL5791325 0.78 KDM1A (0.49) KDM1A
SCHEMBL5794880 0.78 KDM1A (0.49) KDM1A
SCHEMBL5791864 0.77 KDM1A (0.42) KDM1AF2TAAR1FAAHALDH1A1
SCHEMBL5790580 0.73 KDM1A (0.43) KDM1AF2FAAHALDH1A1CYP3A4
SCHEMBL5763037 0.72 KDM1A (0.54) KDM1AALDH1A1
SCHEMBL5762783 0.72 KDM1A (0.54) KDM1AALDH1A1
SCHEMBL5794093 0.72 KDM1A (0.45) KDM1AF2FAAH

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