SCHEMBL9685583

SCHEMBL9685583

C#CCc1c(C)nc2c(OCc3c(C)cccc3NC(=O)CCC)cccn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 1/20 0.50
ATP4A P20648 2/20 0.46
ATP4B P51164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BDKRB2 P30411 1/20 0.43
POLB P06746 1/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42

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
SCHEMBL9687507 0.93 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9686917 0.91 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9686195 0.90 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10560453 0.90 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9685547 0.89 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9685702 0.89 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9685584 0.89 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9686327 0.88 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10558909 0.88 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9686488 0.88 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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-0268989-B1 IMIDAZOPYRIDINE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-08 EP disclosed
US-4831041-A ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0268989-A1 Imidazopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-01 EP disclosed