SCHEMBL8874752

SCHEMBL8874752

CCCCCS(=O)(=O)OCc1ccc(-c2ccccc2C2=NC(C)(C)CO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
CYP2D6 P10635 1/20 0.35
HTT P42858 2/20 0.33
PRKCA P17252 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL8882931 0.90 HRH3 (0.34) HRH3CYP2D6HTTPRKCAKDM4E
SCHEMBL7008171 0.90 HRH3 (0.38) HRH3CYP2D6HTTKDM4ELMNA
SCHEMBL7011157 0.84 AKT1 (0.40) HRH3CYP2D6HTTKDM4ELMNA
SCHEMBL8876871 0.84 HRH3 (0.36) HRH3CYP2D6HTTKDM4ELMNA
SCHEMBL8882925 0.82 HTT (0.32) HRH3HTTKDM4ELMNAMAPT
SCHEMBL7005090 0.82 HRH3 (0.38) HRH3CYP2D6HTTKDM4ELMNA
SCHEMBL8971834 0.81 HRH3 (0.35) HRH3CYP2D6HTTKDM4ELMNA
SCHEMBL7011088 0.80 CYP2D6 (0.36) HRH3CYP2D6HTTKDM4ELMNA
SCHEMBL10834895 0.79 HRH3 (0.42) HRH3CYP2D6HTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9308089 0.77 HRH3 (0.42) HRH3CYP2D6HTTKDM4ELMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700938-A Intermediates for imidazopyridine derivatives EISAI CO., LTD. (JP) 1997-12-23 US disclosed
US-5618969-A Intermediates for imidazopyridines EISAI CO., LTD. (JP) 1997-04-08 US disclosed
US-5587504-A Sulfonyloxy-biphenylcarboxylic ester derivatives which are intermediates EISAI CO., LTD. (JP) 1996-12-24 US disclosed
US-5583229-A Process for the preparation of imidazopyridine derivatives EISAI CO., LTD. (JP) 1996-12-10 US disclosed
US-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed
US-5557002-A Process for the preparation of biphenyl containing intermediates useful in making angiotensin II receptor antagonists EISAI CO., LTD. (JP) 1996-09-17 US disclosed
US-5554757-A Process for the preparation of imidazopyridine derivatives, and intermediates therefore EISAI CO., LTD. (JP) 1996-09-10 US disclosed
EP-0627433-A1 PROCESS FOR PRODUCING IMIDAZOPYRIDINE DERIVATIVE AND INTERMEDIATE Eisai Co., Ltd. (JP) 1994-12-07 EP disclosed