SCHEMBL14469500

SCHEMBL14469500

CNc1cc(CN2CCC(C(=O)N3CCC(Nc4ccc5ncccc5c4)CC3)CC2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 18/20 0.50
▸ OGA O60502 1/20 0.47
▸ ACKR3 P25106 1/20 0.46

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
SCHEMBL13003612 0.88 TBK1 (0.49) TBK1OGAACKR3
SCHEMBL14469361 0.85 TBK1 (0.47) TBK1ACKR3
SCHEMBL13588406 0.85 ACKR3 (0.51) TBK1ACKR3
SCHEMBL13588426 0.80 TBK1 (0.48) TBK1
SCHEMBL8231022 0.79 ACKR3 (0.46) TBK1ACKR3
SCHEMBL8420506 0.79 CYP3A4 (0.51) TBK1
SCHEMBL13588425 0.78 TBK1 (0.51) TBK1
SCHEMBL13588416 0.77 TBK1 (0.49) TBK1
SCHEMBL8223229 0.75 TBK1 (0.51) TBK1
SCHEMBL8230514 0.75 CYP3A4 (0.56) TBK1

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-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — WO disclosed
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