SCHEMBL16360896

SCHEMBL16360896

N=C(N)[C@@H]1CCC[C@@H]1C(=O)NCCO

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.43
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
TAAR1 Q96RJ0 3/20 0.38
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CASP1 P29466 1/20 0.35
POLB P06746 2/20 0.35
GRM4 Q14833 1/20 0.35
CYP2C19 P33261 1/20 0.34

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
SCHEMBL12565677 0.83 TAAR1 (0.49) TAAR1HSD17B10ALDH1A1CASP1POLB
SCHEMBL4598382 0.82 GRM4 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4598385 0.75 TAAR1 (0.40) TAAR1HSD17B10ALDH1A1CASP1POLB
SCHEMBL4824140 0.72 GRM4 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19301621 0.71 NAAA (0.52) HSD17B10ALDH1A1
SCHEMBL14462915 0.71 CTSK (0.65)
SCHEMBL13818150 0.70 TAAR1 (0.47) TAAR1HSD17B10ALDH1A1CASP1POLB
SCHEMBL4598374 0.68 GRM4 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4824953 0.68 GRM4 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15739433 0.67 NAAA (0.56) HSD17B10ALDH1A1

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-2013095275-A1 NOVEL HEPATITIS C VIRUS INHIBITORS MEDIVIR AB (SE) 2013-06-27 WO disclosed