SCHEMBL185386

SCHEMBL185386

CN(C(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ncc(Nc2ccccc2Cl)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.37
TRPV1 Q8NER1 5/20 0.34
FAAH O00519 4/20 0.34
ACVRL1 P37023 1/20 0.33
AURKA O14965 3/20 0.33
JAK2 O60674 2/20 0.32
AURKB Q96GD4 2/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
MAPK14 Q16539 1/20 0.32
CDK4 P11802 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
BDKRB1 P46663 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CNR1 P21554 1/20 0.31
GRM5 P41594 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL2805264 0.90 BDKRB1 (0.40) LCKACVRL1AURKAJAK2AURKB
SCHEMBL3728256 0.79 P2RY1 (0.37) TRPV1FAAH
SCHEMBL185223 0.76 FAAH (0.35) TRPV1FAAHAURKAMAPK9MAPK10
SCHEMBL3725823 0.76 ABL1 (0.38) TRPV1FAAHMAPK14
SCHEMBL186651 0.74 CNR2 (0.39) TRPV1MAPK10KDM4EGRM5ALDH1A1
SCHEMBL185613 0.73 SMO (0.33) TRPV1FAAHMAPK10GRM5
SCHEMBL14856612 0.73 MAPK10 (0.33) TRPV1FAAHMAPK10GRM5ALDH1A1
SCHEMBL185374 0.73 MEN1 (0.47) TRPV1FAAHAURKABDKRB1
SCHEMBL185885 0.71 FAAH (0.35) TRPV1FAAHCYP2C9KDM4EGRM5
SCHEMBL186120 0.71 JAK1 (0.34) LCKTRPV1FAAHJAK2MAPK10

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