SCHEMBL8561996

SCHEMBL8561996

Cc1cn2cccc(OCc3c(Cl)cc(Cl)cc3Cl)c2n1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
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
BDKRB2 P30411 2/20 0.41
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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 0.90 HSD11B1 (0.46) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9748883 0.85 PTGER1 (0.44) PPARGCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8563420 0.85 PPARG (0.46) PPARG
SCHEMBL8566849 0.84 PPARG (0.40) PPARGBDKRB2
SCHEMBL8563624 0.83 BDKRB2 (0.41) BDKRB2
SCHEMBL2191580 0.82 CYP3A4 (0.48) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2194287 0.82 PPARG (0.50) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9076921 0.82 PPARG (0.41) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8561187 0.82 KMT2A (0.42) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL8666495 0.82 BDKRB2 (0.42) BDKRB2

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 3 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-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