SCHEMBL8562786

SCHEMBL8562786

Cc1cn2cccc(OCc3c(Cl)cc(Cl)c([N+](=O)[O-])c3Cl)c2n1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
BDKRB2 P30411 1/20 0.37

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
SCHEMBL8566749 0.86 PPARG (0.40) PPARG
SCHEMBL8564104 0.82 LMNA (0.41) PPARGLMNAMAPTPKMRAB9A
SCHEMBL8563420 0.81 PPARG (0.46) PPARG
SCHEMBL8561996 0.81 PPARG (0.46) PPARGRAB9ABDKRB2
SCHEMBL8566987 0.80 LMNA (0.47) PPARGLMNAMAPTPKMRAB9A
SCHEMBL8561439 0.80 BDKRB2 (0.54) BDKRB2
SCHEMBL8562316 0.79 HSD11B1 (0.46) PPARGBDKRB2
SCHEMBL8672788 0.79 BDKRB2 (0.45) BDKRB2
Hydrochloric Acid SCHEMBL8666531 0.78 BDKRB2 (0.46) BDKRB2
SCHEMBL8565983 0.78 PPARG (0.48) PPARG

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