SCHEMBL14865323

SCHEMBL14865323

CCc1nc(O)cc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Cl)cc4C(F)(F)F)cn3)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.34
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTSL P07711 1/20 0.33
TRPV1 Q8NER1 3/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
P2RX7 Q99572 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTK2 Q05397 1/20 0.32
ANO1 Q5XXA6 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GRM4 Q14833 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
SCHEMBL2809088 0.91 CYP1A2 (0.35) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2808185 0.87 RAB9A (0.37) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2809939 0.87 MRGPRX4 (0.37) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL13128996 0.84 CNR2 (0.36) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL186307 0.83 RAB9A (0.40) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2810010 0.83 RAB9A (0.39) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL13159819 0.83 CNR2 (0.38) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2809946 0.83 CNR2 (0.39) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL185699 0.83 RAB9A (0.37) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL13128552 0.83 CNR2 (0.39) CNR2RAB9ACYP1A2CYP2D6CYP2C19

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 1 patent. 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