SCHEMBL5193973

SCHEMBL5193973

COc1ccc(NC(=O)N2CCN(C(C)c3cc(OC)ccc3OC)C(CC(N)=O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
SHMT2 P34897 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
BLM P54132 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
PDGFRB P09619 1/20 0.41
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 1/20 0.40
CCR2 P41597 1/20 0.40
MEN1 O00255 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL5190772 0.80 OGA (0.46) MAPTSMN1; SMN2ALDH1A1KMT2ABLM
SCHEMBL5191970 0.80 MAPT (0.49) MAPTSMN1; SMN2KMT2ABLMCCR2
SCHEMBL5193553 0.78 PDGFRB (0.45) MAPTSMN1; SMN2SHMT2KMT2AL3MBTL1
SCHEMBL5193442 0.75 MAPT (0.55) MAPTSMN1; SMN2KMT2ABLMFAAH
SCHEMBL5193490 0.75 FAAH (0.50) MAPTSHMT2L3MBTL1PDGFRBATM
SCHEMBL5193943 0.72 PDGFRB (0.44) MAPTSMN1; SMN2SHMT2KMT2AL3MBTL1
SCHEMBL5190799 0.72 PDGFRB (0.42) MAPTSHMT2KMT2AL3MBTL1PDGFRB
SCHEMBL5199484 0.72 MAPT (0.51) MAPTSMN1; SMN2KMT2ABLMFAAH
SCHEMBL5193461 0.72 HIF1A (0.40) ALDH1A1KMT2AMEN1
SCHEMBL5213600 0.72 ALDH1A1 (0.51) MAPTSMN1; SMN2SHMT2ALDH1A1KMT2A

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