SCHEMBL186029

SCHEMBL186029

O=C1CC[C@H](OC(=O)NC2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CCOC2)CN1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
P2RX7 Q99572 1/20 0.32
SCD O00767 1/20 0.31
SSTR4 P31391 1/20 0.31
AURKA O14965 2/20 0.31
AURKB Q96GD4 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
ADAMTS4 O75173 1/20 0.30
MMP13 P45452 1/20 0.30
OPRL1 P41146 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
GSK3B P49841 1/20 0.30
NAMPT P43490 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
SCHEMBL2808451 0.88 MEN1 (0.35) CTDSP1MEN1KMT2ACYP1A2P2RX7
SCHEMBL2808449 0.88 MEN1 (0.35) CTDSP1MEN1KMT2ACYP1A2P2RX7
SCHEMBL2804900 0.83 SMN1; SMN2 (0.38) CTDSP1MEN1KMT2ACYP1A2P2RX7
SCHEMBL185594 0.83 SMN1; SMN2 (0.38) CTDSP1MEN1KMT2ACYP1A2P2RX7
SCHEMBL198810 0.83 SMN1; SMN2 (0.38) CTDSP1MEN1KMT2ACYP1A2P2RX7
SCHEMBL2812345 0.81 POLB (0.43) CTDSP1MEN1KMT2ACYP1A2SCN9A
SCHEMBL185730 0.80 BDKRB1 (0.35) MEN1KMT2ACYP1A2P2RX7SSTR4
SCHEMBL13128471 0.79 CTDSP1 (0.39) CTDSP1P2RX7KCNH2SCN5ASCN9A
SCHEMBL2806170 0.79 CTDSP1 (0.35) CTDSP1MEN1KMT2ACYP1A2P2RX7
SCHEMBL185234 0.79 GAA (0.35) CTDSP1MEN1KMT2AALDH1A1

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