SCHEMBL10396997

SCHEMBL10396997

C#CCc1c(C)nc2c(NCc3c(C)cccc3NC(=O)OC)cccn12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.51
CYP2C9 P11712 17/20 0.51
CYP2D6 P10635 10/20 0.51
CYP2C19 P33261 8/20 0.51
CYP1A2 P05177 7/20 0.51
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
Hydrochloric Acid SCHEMBL10397533 0.99 CYP3A4 (0.50) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL10397515 0.93 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL10396962 0.92 CYP3A4 (0.47) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL10397979 0.91 CYP3A4 (0.52) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL10398310 0.90 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL10398051 0.89 CYP3A4 (0.50) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL10397518 0.89 CYP3A4 (0.53) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL10397887 0.89 CYP3A4 (0.50) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL10398362 0.89 CYP3A4 (0.38) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1816283 0.88 CYP3A4 (0.54) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4920129-A Anti-ulcerative imidazopyridine compounds FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-04-24 US claimed
EP-0308917-A2 Imidazopyridine compound, a process for preparation thereof and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-03-29 EP claimed
JP-1151579-A None JP disclosed
US-4920129-A Anti-ulcerative imidazopyridine compounds FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-04-24 US disclosed
JP-H01151579-A IMIDAZOPYRIDINE COMPOUND AND PRODUCTION THEREOF FUJISAWA PHARMACEUT CO LTD 1989-06-14 JP disclosed
EP-0308917-A2 Imidazopyridine compound, a process for preparation thereof and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-03-29 EP disclosed