SCHEMBL758571

SCHEMBL758571

CC(C)c1ccccc1Oc1ccc(CNC(=O)C2(NC(=O)Oc3cncnc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.47
CARM1 Q86X55 3/20 0.40
PRMT6 Q96LA8 3/20 0.40
CES2 O00748 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK14 Q16539 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
FAAH O00519 2/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL765186 0.90 BDKRB1 (0.58) BDKRB1CARM1PRMT6MAPK14HRH3
SCHEMBL756449 0.79 BDKRB1 (0.46) BDKRB1MAPK14FAAHLMNAALDH1A1
SCHEMBL184989 0.79 BDKRB1 (0.50) BDKRB1FAAHTRPV1CYP3A4CYP2C9
SCHEMBL187120 0.78 BDKRB1 (0.50) BDKRB1NPC1RAB9AFAAHTRPV1
SCHEMBL754425 0.78 PPARD (0.44) BDKRB1CARM1PRMT6FAAHALDH1A1
SCHEMBL764461 0.77 BDKRB1 (0.61) BDKRB1MAPK14LMNASMN1; SMN2CYP3A4
SCHEMBL764458 0.77 BDKRB1 (0.64) BDKRB1CARM1PRMT6RAB9AMAPK14
SCHEMBL2789274 0.77 MAPK14 (0.45) BDKRB1CARM1PRMT6NPC1RAB9A
SCHEMBL14856425 0.77 BDKRB1 (0.48) BDKRB1NPC1RAB9AFAAHALDH1A1
SCHEMBL10121331 0.77 BDKRB1 (0.60) BDKRB1CARM1PRMT6MAPK14LMNA

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-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO disclosed