SCHEMBL8562693

SCHEMBL8562693

CN(C(=O)C(F)(F)F)c1ccc(Cl)c(CBr)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.33
BDKRB2 P30411 2/20 0.32
GRM5 P41594 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL6962533 0.82 FSCN1 (0.50) FSCN1BDKRB2CYP4F2CYP4A11
SCHEMBL8361704 0.74 BDKRB2 (0.40) BDKRB2CYP4F2CYP4A11KDM4E
SCHEMBL8565095 0.70 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL9049204 0.70 POLQ (0.39) KDM4EMAPT
SCHEMBL7747006 0.70 POLB (0.41) KDM4E
SCHEMBL9384007 0.69 FSCN1 (0.45) FSCN1GRM5KDM4EMAPT
SCHEMBL8477264 0.66 GABRP (0.47) FSCN1BDKRB2
SCHEMBL913433 0.65 GSK3B (0.43)
SCHEMBL8477267 0.65 GABRP (0.46) FSCN1BDKRB2
SCHEMBL18669200 0.64 P2RX7 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed