SCHEMBL185885

SCHEMBL185885

Cc1cc(Br)ccc1Nc1ccc(N(C)C(=O)C2(NC(=O)Oc3cncnc3)CC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.35
TRPV1 Q8NER1 3/20 0.35
FPR2 P25090 4/20 0.34
EGFR P00533 1/20 0.34
TEK Q02763 1/20 0.33
MAPT P10636 6/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GRM5 P41594 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
APOBEC3A P31941 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TNIK Q9UKE5 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2805683 0.90 MAPT (0.35) FPR2EGFRTEKMAPTMEN1
SCHEMBL185910 0.89 FAAH (0.32) FAAHTRPV1FPR2EGFR
SCHEMBL185331 0.83 DHODH (0.35) FAAHTRPV1
SCHEMBL185613 0.82 SMO (0.33) FAAHTRPV1GRM5
SCHEMBL186205 0.81 LIPE (0.36) FAAHTRPV1EGFR
SCHEMBL186651 0.80 CNR2 (0.39) TRPV1MEN1KMT2ARAB9AGRM5
SCHEMBL185280 0.80 PIK3CA (0.36) FAAHTRPV1EGFRGAA
SCHEMBL14856612 0.80 MAPK10 (0.33) FAAHTRPV1TEKMEN1KMT2A
SCHEMBL185223 0.80 FAAH (0.35) FAAHTRPV1RAB9ALMNA
SCHEMBL2809360 0.78 BDKRB1 (0.33) FPR2EGFRGRM5

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