SCHEMBL5328532

SCHEMBL5328532

Cc1ccccc1[C@@H]1CCc2c(C(=O)N3CC(F)(F)C3)cn3c(C)c(C)nc3c2O1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 13/20 0.38
SLC8A1 P32418 2/20 0.34
SPR P35270 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
ATP4A P20648 1/20 0.31
ATP4B P51164 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
SCHEMBL5569799 0.84 CYP3A4 (0.33) RIPK1SLC8A1CYP3A4CYP2C9ATP4A
SCHEMBL5566402 0.84 CYP3A4 (0.33) RIPK1SLC8A1CYP3A4CYP2C9ATP4A
SCHEMBL5571355 0.84 CYP3A4 (0.33) RIPK1SLC8A1CYP3A4CYP2C9ATP4A
SCHEMBL5569811 0.77 RIPK1 (0.41) RIPK1CYP3A4CYP2C9ATP4AATP4B
SCHEMBL5570783 0.77 RIPK1 (0.41) RIPK1CYP3A4CYP2C9ATP4AATP4B
SCHEMBL5422396 0.76 ATP4A (0.42) RIPK1SLC8A1SPRHCRTR1HCRTR2
SCHEMBL5417817 0.75 ATP4A (0.46) RIPK1SLC8A1CYP3A4CYP2C9ATP4A
SCHEMBL5989112 0.75 ATP4A (0.46) RIPK1SLC8A1CYP3A4CYP2C9ATP4A
SCHEMBL5328763 0.75 GBA1 (0.31) SPR
SCHEMBL5414016 0.75 ATP4A (0.41) SLC8A1SPRCYP3A4CYP2C9ATP4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007141253-A1 PROCESS FOR THE PRODUCTION OF INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC IMIDAZOPYRIDINES NYCOMED GMBH (DE) 2007-12-13 WO claimed
WO-2007141253-A1 PROCESS FOR THE PRODUCTION OF INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC IMIDAZOPYRIDINES NYCOMED GMBH (DE) 2007-12-13 WO disclosed