SCHEMBL186372

SCHEMBL186372

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(Br)cc3Cl)cn2)CC1)Oc1cncnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
TRPV1 Q8NER1 6/20 0.36
FAAH O00519 4/20 0.36
FPR2 P25090 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
BDKRB1 P46663 1/20 0.33
ALOX15 P16050 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
GRM5 P41594 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL186807 0.92 RAB9A (0.38) RAB9ANPC1TRPV1FAAHSMN1; SMN2
SCHEMBL2808283 0.89 RAB9A (0.41) RAB9ANPC1FPR2SMN1; SMN2ALDH1A1
SCHEMBL14856806 0.89 TRPV1 (0.36) RAB9ANPC1TRPV1FAAHFPR2
SCHEMBL185951 0.86 TRPV1 (0.33) NPC1TRPV1FAAHFPR2BDKRB1
SCHEMBL185551 0.81 CNR2 (0.33) TRPV1FAAHFPR2
SCHEMBL13128603 0.81 BDKRB1 (0.43) RAB9ABDKRB1
SCHEMBL2807389 0.80 BDKRB1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14856784 0.80 FAAH (0.36) NPC1TRPV1FAAHKMT2AMEN1
SCHEMBL13128606 0.80 BDKRB1 (0.42) BDKRB1
SCHEMBL14856682 0.79 FAAH (0.36) TRPV1FAAHFPR2BDKRB1

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-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed