SCHEMBL19982847

SCHEMBL19982847

N#CC(C#N)CC(NCC1CCOC1)C(O)C(=O)NCC1CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 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
SCHEMBL19975192 0.86 MC4R (0.34) NAMPT
SCHEMBL19974753 0.86 MC4R (0.34) NAMPT
SCHEMBL19975431 0.86 MC4R (0.34) NAMPT
SCHEMBL21183504 0.79 NPC1 (0.33) NAMPT
SCHEMBL21183503 0.74 TSHR (0.33) NAMPT
SCHEMBL19982903 0.74 CTSS (0.33) NAMPTALDH1A1CYP3A4
SCHEMBL19974827 0.73 TDP1 (0.38) CYP3A4
SCHEMBL19982727 0.73
SCHEMBL21176215 0.71 TDP1 (0.36) CYP3A4
SCHEMBL19982704 0.70 ALDH1A1 (0.33) NAMPTALDH1A1CYP3A4

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-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed