SCHEMBL765827

SCHEMBL765827

CC(O)c1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4ccccn4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.39
HTRA1 Q92743 1/20 0.38
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DDR2 Q16832 1/20 0.36
KDR P35968 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
ACACB O00763 1/20 0.35
SCN9A Q15858 1/20 0.35
GRM4 Q14833 2/20 0.35
MAPK14 Q16539 1/20 0.35
KMT2A Q03164 1/20 0.35
ROS1 P08922 1/20 0.34
ALK Q9UM73 1/20 0.34
HDAC1 Q13547 1/20 0.34
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34
PSMB1 P20618 1/20 0.34

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
SCHEMBL13165721 0.95 HTRA1 (0.36) BDKRB1HTRA1LMNAGAAALDH1A1
SCHEMBL13166111 0.92 HTRA1 (0.37) BDKRB1HTRA1LMNAGAAALDH1A1
SCHEMBL765174 0.90 DDR2 (0.38) BDKRB1DDR2KDRMAPK1SCN9A
SCHEMBL10121197 0.89 DDR2 (0.41) BDKRB1ALDH1A1DDR2KDRMAPK1
SCHEMBL12238933 0.89 P2RX7 (0.44) BDKRB1ALDH1A1GRM4KMT2A
SCHEMBL764500 0.88 BDKRB1 (0.43) BDKRB1HPGDSCN9AMAPK14PSMB11
SCHEMBL764459 0.86 GRM2 (0.45) BDKRB1DDR2SCN9AROS1ALK
SCHEMBL765640 0.86 SCN9A (0.38) BDKRB1ALDH1A1DDR2ACACBSCN9A
SCHEMBL13904206 0.86 BDKRB1 (0.39) BDKRB1DDR2MAPK1ACACBSCN9A
SCHEMBL764434 0.85 DDR2 (0.38) BDKRB1DDR2SCN9AROS1ALK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO disclosed