SCHEMBL5190799

SCHEMBL5190799

COc1ccc(OC)c(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2CC(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.42
SHMT2 P34897 1/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CCR2 P41597 8/20 0.41
KCNH2 Q12809 7/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL5210351 0.89 FAAH (0.46) MAPTLMNATP53CCR2KCNH2
SCHEMBL5192582 0.86 FAAH (0.50) MAPTLMNATP53CCR2KCNH2
SCHEMBL5191582 0.81 TP53 (0.56) MAPTLMNATP53CCR2KCNH2
SCHEMBL5193442 0.80 MAPT (0.55) MAPTCCR2MEN1KMT2ARAB9A
SCHEMBL5193553 0.77 PDGFRB (0.45) PDGFRBSHMT2MAPTLMNATP53
SCHEMBL5199484 0.77 MAPT (0.51) MAPTMEN1KMT2A
SCHEMBL5193943 0.77 PDGFRB (0.44) PDGFRBSHMT2MAPTLMNATP53
SCHEMBL5194086 0.76 FAAH (0.62) MAPTMEN1KMT2ARAB9A
SCHEMBL5190802 0.74 CCR2 (0.47) PDGFRBMAPTLMNATP53CCR2
SCHEMBL5193973 0.72 MAPT (0.47) PDGFRBSHMT2MAPTL3MBTL1CCR2

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