SCHEMBL9748644

SCHEMBL9748644

Cc1nc2c(OCc3c(Cl)cccc3Cl)cccn2c1CN(C)C

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ATP4A P20648 1/20 0.51
ATP4B P51164 1/20 0.51

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
SCHEMBL9747050 0.88 ATP4A (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9746183 0.84 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9747064 0.84 ATP4A (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9747657 0.84 ATP4A (0.54) CYP1A2CYP3A4CYP2D6CYP2C9ATP4A
SCHEMBL9747208 0.84 ATP4A (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Iodide SCHEMBL9747520 0.83 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8566537 0.83 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9747654 0.83 ATP4A (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11062878 0.82 ATP4A (0.74) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Iodomethane SCHEMBL11070393 0.82 ATP4A (0.52) CYP1A2CYP3A4CYP2D6CYP2C9ATP4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0204285-B1 IMIDAZOHETEROCYCLIC COMPOUNDS PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP disclosed
US-4725601-A Certain imidazo[1,2-a]pyridines useful in the treatment of ulcers FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US disclosed
EP-0204285-A1 Imidazoheterocyclic compounds processes for preparation thereof and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-12-10 EP disclosed