SCHEMBL19559985

SCHEMBL19559985

CCCC(CCO)Nc1nc(Cl)nc2c1[S+]([O-])CC2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 15/20 0.39
▸ CYP2D6 P10635 2/20 0.36
▸ DRD1 P21728 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ TLR8 Q9NR97 3/20 0.32
▸ TLR7 Q9NYK1 2/20 0.32

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
SCHEMBL557666 0.92 TLR8 (0.34) KCNH2TLR8TLR7
SCHEMBL22734102 0.78 GLP1R (0.33) —
SCHEMBL22734107 0.78 GLP1R (0.33) —
SCHEMBL22734103 0.78 GLP1R (0.33) —
SCHEMBL186950 0.77 — —
SCHEMBL22734106 0.77 GAA (0.37) ADORA1
SCHEMBL22734117 0.75 KMT2A (0.34) —
SCHEMBL22734113 0.74 LMNA (0.37) ADORA1
SCHEMBL22734119 0.73 TLR8 (0.37) TLR8TLR7
SCHEMBL22734111 0.72 MEN1 (0.31) —

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-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 — — EP disclosed
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