SCHEMBL8517092

SCHEMBL8517092

C=CCNC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.62
CHRNB2 P17787 3/20 0.62
CHRNA4 P43681 3/20 0.62
CYP1A2 P05177 3/20 0.62
CHRNB4 P30926 2/20 0.62
CHRNA3 P32297 2/20 0.62
MAPT P10636 2/20 0.58
ALOX15 P16050 1/20 0.58
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TP53 P04637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL1840255 0.88 ALOX15 (0.56) HPGDCHRNB2CHRNA4CYP1A2CHRNB4
SCHEMBL5885064 0.81 HPGD (0.68) HPGDCYP1A2MAPTALOX15KMT2A
SCHEMBL11007801 0.81 CHRNB2 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A
SCHEMBL7217604 0.78 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A
SCHEMBL7978017 0.78 HPGD (0.68) HPGDCYP1A2MAPTALOX15KMT2A
SCHEMBL8841217 0.78 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A
SCHEMBL3459359 0.78 CA1 (0.70) HPGDCYP1A2MAPTALOX15KMT2A
SCHEMBL1649572 0.78 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A
SCHEMBL7212801 0.78 HPGD (0.51) HPGDCYP1A2MAPTALOX15KMT2A
SCHEMBL9778247 0.77 HPGD (0.59) HPGDCYP1A2MAPTALOX15ALDH1A1

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
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US claimed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP claimed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 WO claimed