SCHEMBL6580757

SCHEMBL6580757

CCCOc1c([N+](=O)[O-])ccc(OC)c1COc1cccc2ccc(C)nc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 4/20 0.54
BDKRB2 P30411 2/20 0.46
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MCHR1 Q99705 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
LMNA P02545 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
SCHEMBL6578362 0.91 MEN1 (0.59) MEN1KMT2AALDH1A1BDKRB2KDM4E
SCHEMBL6580680 0.84 MEN1 (0.58) MEN1KMT2AALDH1A1BDKRB2KDM4E
SCHEMBL6578497 0.83 MEN1 (0.57) MEN1KMT2AALDH1A1BDKRB2KDM4E
SCHEMBL6581519 0.83 MCHR1 (0.50) MEN1KMT2AALDH1A1BDKRB2KDM4E
SCHEMBL6581282 0.82 MEN1 (0.55) MEN1KMT2AALDH1A1BDKRB2KDM4E
SCHEMBL6576124 0.81 MEN1 (0.57) MEN1KMT2AALDH1A1BDKRB2PTGDR2
SCHEMBL6580761 0.80 MAPT (0.42) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6581449 0.77 MEN1 (0.59) MEN1KMT2AALDH1A1BDKRB2KDM4E
SCHEMBL7915766 0.77 BDKRB2 (0.42) MEN1KMT2AALDH1A1BDKRB2KDM4E
SCHEMBL6580633 0.77 BDKRB2 (0.55) ALDH1A1BDKRB2KDM4E

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-0867432-B1 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists AVENTIS PHARMA GMBH (DE) 2004-06-09 EP disclosed
US-6211196-B1 8-BENZYLOXY-(TETRAHYDRO)QUINOLINE DERIVATIVES; LIVER CIRRHOSIS, ALZHEIMER*S DISEASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-03 US disclosed
EP-0867432-A2 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-30 EP disclosed