SCHEMBL5140232

SCHEMBL5140232

CC(CCc1[c]ncc(C(N)=O)c1)NCc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.46
MAOB P27338 1/20 0.37
JAK3 P52333 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AURKB Q96GD4 1/20 0.35
CHEK1 O14757 1/20 0.35
MAPK8 P45983 1/20 0.35
KLKB1 P03952 1/20 0.35
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NNMT P40261 1/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL6468178 0.78 DPP4 (0.47) DPP4MAOBAURKARPS6KB1AURKB
SCHEMBL6468183 0.71 POLB (0.40) DPP4MAOBCHEK1KCNH2SMN1; SMN2
SCHEMBL25588069 0.69 ALDH1A1 (0.42) MAOBSMN1; SMN2P2RX7
SCHEMBL720750 0.68 MAOB (0.49) MAOBMAPK8P2RX7
SCHEMBL6469199 0.65 DPP4 (0.49) DPP4ATML3MBTL1
SCHEMBL12312612 0.64 KDM4E (0.47) MAOBHTR2AHTR2CKCNH2SMN1; SMN2
SCHEMBL23752243 0.63 DPP4 (1.00) DPP4MAOBSMN1; SMN2ATML3MBTL1
SCHEMBL23752242 0.63 DPP4 (1.00) DPP4MAOBSMN1; SMN2ATML3MBTL1
SCHEMBL6471110 0.63 DPP4 (0.53) DPP4KCNH2
SCHEMBL18887627 0.62 P2RX7 (0.50) MAOBP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO disclosed