SCHEMBL10698021

SCHEMBL10698021

CC1(C)CNC(=O)c2cc3nc(-c4ccc(C(F)(F)F)cc4)[nH]c3cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 8/20 0.47
DGAT1 O75907 7/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
KCNH2 Q12809 6/20 0.45
SOAT1 P35610 3/20 0.45
TRPV1 Q8NER1 1/20 0.43
TNKS O95271 1/20 0.42
WNT3A P56704 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
CHEK2 O96017 1/20 0.41

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
SCHEMBL9385702 0.88 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10700489 0.84 NPC1 (0.49) NPBWR1PDE4APDE4BPDE4CPDE4D
SCHEMBL10559564 0.82 NPBWR1 (0.51) NPBWR1DGAT1PDE4APDE4BPDE4C
SCHEMBL9384373 0.74 AURKA (0.39) DGAT1PDE4APDE4BPDE4CPDE4D
SCHEMBL9378614 0.74 KDM4E (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL807772 0.74 PARP10 (0.54)
SCHEMBL10373612 0.73 PDE4A (0.67) NPBWR1DGAT1PDE4APDE4BPDE4C
SCHEMBL9703360 0.73 PDE4A (0.49) NPBWR1DGAT1PDE4APDE4BPDE4C
SCHEMBL9705366 0.73 TP53 (0.42) NPBWR1PDE4APDE4BPDE4CPDE4D
SCHEMBL10697321 0.71 AMY1A (0.45) NPBWR1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275888-A2 Tricyclic benzimidazoles, process for their preparation and use as medicaments Roche Diagnostics GmbH (DE) 1988-07-27 EP disclosed