SCHEMBL8558939

SCHEMBL8558939

CCc1cn2cccc(OCc3c(Cl)cccc3Cl)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
PPARG P37231 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.39

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
SCHEMBL8562316 0.85 HSD11B1 (0.46) HSD11B1PPARGCYP1A2CYP3A4CYP2D6
SCHEMBL2193708 0.81 ATP4A (0.54) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1895446 0.79 PDE10A (0.51) PKM
SCHEMBL8566754 0.79 HSD11B1 (0.44) HSD11B1PPARGCYP1A2CYP3A4CYP2D6
SCHEMBL8564199 0.78 MAPT (0.51) CYP1A2
Hydrochloric Acid SCHEMBL9276910 0.78 PPARG (0.54) HSD11B1PPARGPKM
SCHEMBL8561187 0.77 KMT2A (0.42) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9076921 0.77 PPARG (0.41) HSD11B1PPARGCYP1A2CYP3A4CYP2D6
SCHEMBL8561996 0.75 PPARG (0.46) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8563420 0.75 PPARG (0.46) 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