SCHEMBL8563527

SCHEMBL8563527

Cc1cc(C)c(COc2cccn3c(Cl)c(C)nc23)c(C)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55
ATP4A P20648 2/20 0.48
ATP4B P51164 2/20 0.48

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
SCHEMBL6353110 0.90 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8566537 0.85 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8565905 0.82 GUCY1B2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8560095 0.82 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11097646 0.81 ATP4A (0.70) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7496960 0.79 CYP3A4 (0.79) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8566158 0.77
SCHEMBL7499341 0.76 CYP3A4 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8567721 0.76 BDKRB2 (0.51)
SCHEMBL8564476 0.75 ATP4A (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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