SCHEMBL8562886

SCHEMBL8562886

Cc1nc2c(OCc3ccccc3C(F)(F)F)cccn2c1Cl

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.49
PSEN2 P49810 3/20 0.49
APH1B Q8WW43 3/20 0.49
NCSTN Q92542 3/20 0.49
APH1A Q96BI3 3/20 0.49
PSENEN Q9NZ42 3/20 0.49
ATP4A P20648 2/20 0.47
ATP4B P51164 2/20 0.47
GUCY1B2 O75343 3/20 0.47
GUCY1A2 P33402 3/20 0.47
GUCY1A1 Q02108 3/20 0.47
GUCY1B1 Q02153 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL10564425 0.83 ATP4A (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8559727 0.81 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11708211 0.80 KDM4E (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8559791 0.77 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8562655 0.77 PLK1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8565905 0.76 GUCY1B2 (0.59) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL8566537 0.76 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8567556 0.76 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6353110 0.74 CYP1A2 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18080825 0.74 GUCY1B2 (0.73) GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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