SCHEMBL7093547

SCHEMBL7093547

CC1(C)COC(c2ccccc2-c2ccc(COC3CCCO3)cc2)=N1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
NAAA Q02083 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL7004715 0.97 ICAM1 (0.36) HRH3CYP2D6KDM4EICAM1SELE
SCHEMBL8958413 0.89 HRH3 (0.34) HRH3CYP2D6KDM4EICAM1SELE
SCHEMBL8958653 0.86 CREBBP (0.37) HRH3CYP2D6KDM4EICAM1SELE
SCHEMBL7009255 0.79 HRH3 (0.40) HRH3CYP2D6KDM4EALDH1A1HTT
SCHEMBL7009195 0.79 HRH3 (0.42) HRH3CYP2D6KDM4EALDH1A1HTT
SCHEMBL7004285 0.79 HRH3 (0.42) HRH3CYP2D6KDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL9308089 0.79 HRH3 (0.42) HRH3CYP2D6KDM4EALDH1A1HTT
SCHEMBL8873345 0.78 MEN1 (0.36) HRH3ALDH1A1
SCHEMBL11059345 0.77 GBA1 (0.40) ITGB1ITGA4NAAA
SCHEMBL7010101 0.76 HRH3 (0.40) HRH3CYP2D6KDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627433-B1 PROCESS FOR PRODUCING IMIDAZOPYRIDINE DERIVATIVE AND INTERMEDIATE EISAI CO LTD (JP) 2003-03-05 EP disclosed
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-5608068-A Process for the preparation of imidazopyridine derivatives and intermediates EISAI CO., LTD. (JP) 1997-03-04 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