SCHEMBL185730

SCHEMBL185730

O=C1CCC(OC(=O)NC2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CC2)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.35
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX7 Q99572 2/20 0.33
SSTR4 P31391 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 2/20 0.32
MT-CO2 P00403 1/20 0.32
PTK2 Q05397 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MYC P01106 1/20 0.32
MAX P61244 1/20 0.32
MAPK14 Q16539 1/20 0.32
AURKA O14965 1/20 0.32
POLB P06746 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
SCHEMBL2806861 0.85 SMN1; SMN2 (0.40) BDKRB1MEN1CYP1A2KMT2AP2RX7
SCHEMBL186029 0.80 CTDSP1 (0.33) MEN1CYP1A2KMT2AP2RX7SSTR4
SCHEMBL2806172 0.79 POLB (0.43) MEN1CYP1A2KMT2AP2RX7SSTR4
SCHEMBL198810 0.78 SMN1; SMN2 (0.38) MEN1CYP1A2KMT2AP2RX7SSTR4
SCHEMBL2804900 0.78 SMN1; SMN2 (0.38) MEN1CYP1A2KMT2AP2RX7SSTR4
SCHEMBL185594 0.78 SMN1; SMN2 (0.38) MEN1CYP1A2KMT2AP2RX7SSTR4
SCHEMBL185966 0.78 BDKRB1 (0.40) BDKRB1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL2806680 0.78 RAB9A (0.39) BDKRB1MEN1KMT2AP2RX7CYP3A4
SCHEMBL2807722 0.76 CTSL (0.44) BDKRB1MEN1KMT2AMT-CO2PTK2
SCHEMBL2809250 0.76 ALDH1A1 (0.41) BDKRB1MEN1CYP1A2KMT2ACYP3A4

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