SCHEMBL17833263

SCHEMBL17833263

CCN(CC)CCCC(C)Nc1nc(-c2c[nH]c3ccccc23)nc2c(C)cccc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 6/20 0.51
CACNA2D1 P54289 6/20 0.46
FLT3 P36888 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
HTR1A P08908 1/20 0.39
HTR6 P50406 1/20 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
SCHEMBL17833017 0.87 CCR4 (0.47) CCR4CACNA2D1FLT3
SCHEMBL17829648 0.84 POLB (0.46) CACNA2D1FLT3HTR1AHTR6
SCHEMBL17829620 0.81 CCR4 (0.76) CCR4CACNA2D1FLT3
SCHEMBL17829638 0.81 CCR4 (0.48) CCR4CACNA2D1FLT3
SCHEMBL17829807 0.81 CCR4 (0.72) CCR4CACNA2D1FLT3
SCHEMBL17829627 0.80 CCR4 (0.63) CCR4CACNA2D1FLT3
SCHEMBL17829618 0.80 CCR4 (0.53) CCR4CACNA2D1FLT3
SCHEMBL17829651 0.80 CCR4 (0.39) CCR4CACNA2D1FLT3
SCHEMBL17829828 0.79 CCR4 (0.59) CCR4CACNA2D1FLT3
SCHEMBL17829702 0.79 CCR4 (0.56) CCR4CACNA2D1FLT3

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-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed