SCHEMBL5193553

SCHEMBL5193553

COc1ccc(C(C)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2CC(N)=O)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.45
SHMT2 P34897 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CCR2 P41597 7/20 0.43
KCNH2 Q12809 7/20 0.43
MAPT P10636 4/20 0.43
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PANK3 Q9H999 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ATM Q13315 1/20 0.43
CCR5 P51681 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5193943 0.91 PDGFRB (0.44) PDGFRBSHMT2L3MBTL1CCR2KCNH2
SCHEMBL5193461 0.82 HIF1A (0.40) TP53MEN1KMT2A
SCHEMBL5213600 0.81 ALDH1A1 (0.51) SHMT2MAPTSMN1; SMN2LMNAMEN1
SCHEMBL5193973 0.78 MAPT (0.47) PDGFRBSHMT2L3MBTL1CCR2MAPT
SCHEMBL5193490 0.78 FAAH (0.50) PDGFRBSHMT2L3MBTL1MAPTNPSR1
SCHEMBL5193931 0.78 HIF1A (0.42) L3MBTL1
SCHEMBL5190799 0.77 PDGFRB (0.42) PDGFRBSHMT2L3MBTL1CCR2KCNH2
SCHEMBL5190772 0.77 OGA (0.46) MAPTTP53SMN1; SMN2NPSR1LMNA
SCHEMBL5210351 0.76 FAAH (0.46) CCR2KCNH2MAPTTP53LMNA
SCHEMBL5192582 0.75 FAAH (0.50) CCR2KCNH2MAPTTP53LMNA

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-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed