SCHEMBL8204588

SCHEMBL8204588

Cc1cccc2ncn(CC(C)C)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.53
▸ LMNA P02545 4/20 0.49
▸ TLR7 Q9NYK1 3/20 0.49
▸ PDE4D Q08499 2/20 0.49
▸ HRH2 P25021 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ NUDT1 P36639 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ CYP11B1 P15538 3/20 0.43
▸ CYP11B2 P19099 3/20 0.43
▸ APAF1 O14727 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTT P42858 3/20 0.38

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
SCHEMBL25870842 0.84 CYP11B1 (0.41) POLBLMNACYP11B1CYP11B2SMN1; SMN2
SCHEMBL13782270 0.81 CYP11B1 (0.46) POLBLMNAADORA2ACYP11B1CYP11B2
SCHEMBL7669922 0.78 TLR7 (0.45) POLBLMNATLR7PDE4DHRH2
SCHEMBL9883961 0.78 CYP11B1 (0.44) POLBLMNAPDE4DADORA2ACYP11B1
SCHEMBL9883726 0.77 CYP11B1 (0.43) POLBLMNATLR7CYP11B1CYP11B2
SCHEMBL3042764 0.74 PTGS2 (0.48) CYP11B1CYP11B2APAF1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL9602331 0.74 TLR7 (0.56) POLBLMNATLR7PDE4DHRH2
SCHEMBL18762215 0.74 MEN1 (0.41) PDE4DADORA2ACYP11B1CYP11B2SMN1; SMN2
SCHEMBL1026002 0.74 APAF1 (0.67) POLBLMNACYP11B1CYP11B2APAF1
SCHEMBL564029 0.73 TLR7 (0.59) POLBLMNATLR7PDE4DHRH2

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
WO-2008045688-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-17 — — WO disclosed
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