SCHEMBL186396

SCHEMBL186396

COc1ccccc1C(=O)N[C@]1(OC(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
TP53 P04637 2/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNA3 P22001 2/20 0.39
P2RX7 Q99572 1/20 0.38
POLB P06746 1/20 0.38
CNR2 P34972 1/20 0.37
ATM Q13315 1/20 0.37
S1PR1 P21453 3/20 0.37
HCN4 Q9Y3Q4 1/20 0.36
MAPT P10636 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL185726 0.88 GAA (0.42) LMNAPOLBCNR2ATMMAPT
SCHEMBL185723 0.87 KCNH2 (0.41) KDM4ESMN1; SMN2POLBCNR2MAPT
SCHEMBL2806528 0.86 HPGD (0.41) HPGDTP53GLALMNAKDM4E
SCHEMBL185326 0.85 KMT2A (0.41) HPGDLMNAKDM4ESMN1; SMN2MAPT
SCHEMBL185869 0.84 ALDH1A1 (0.35) HPGDLMNASMN1; SMN2POLBMAPT
SCHEMBL185629 0.83 POLB (0.36) HPGDLMNAKDM4ESMN1; SMN2P2RX7
SCHEMBL186112 0.83 HDAC1 (0.39) POLBMAPT
SCHEMBL186209 0.82 POLB (0.34) HPGDLMNAKDM4ESMN1; SMN2POLB
SCHEMBL185812 0.80 POLB (0.34) SMN1; SMN2POLB
SCHEMBL185692 0.80 LMNA (0.39) LMNASMN1; SMN2P2RX7POLB

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