SCHEMBL9747205

SCHEMBL9747205

C#CCc1c(C)nc2c(OCC)cccn12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 6/20 0.58
ATP4B P51164 6/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
MEN1 O00255 1/20 0.58
MAPK1 P28482 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
KMT2A Q03164 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
CYP2C19 P33261 1/20 0.45
PDE10A Q9Y233 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 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
SCHEMBL8685033 0.85 ATP4A (0.80) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL9747167 0.85 ATP4A (0.59) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL9746953 0.84 CYP3A4 (0.68) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL9746183 0.83 CYP1A2 (0.57) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL9747626 0.83 ATP4A (0.64) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL9746894 0.83 ATP4A (0.60) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL10562292 0.82 ATP4A (0.68) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL10673605 0.82 ATP4A (0.56) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL10677985 0.82 ATP4A (0.59) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL9747746 0.82 ATP4A (0.59) ATP4AATP4BCYP1A2CYP3A4CYP2D6

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