SCHEMBL17090548

SCHEMBL17090548

CC(C)S(=O)(=O)NCCCCCNc1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 5/20 0.42
ALDH1A1 P00352 4/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL13565182 1.00 TDP1 (0.44) TDP1RXFP1LMNAALDH1A1USP2
SCHEMBL17090428 0.88 ALDH1A1 (0.44) RXFP1LMNAALDH1A1USP2SMN1; SMN2
SCHEMBL17090270 0.86 SMN1; SMN2 (0.44) TDP1RXFP1LMNAALDH1A1USP2
SCHEMBL13565248 0.86 SMN1; SMN2 (0.44) TDP1RXFP1LMNAALDH1A1USP2
SCHEMBL10134141 0.86 ALDH1A1 (0.51) TDP1RXFP1LMNAALDH1A1USP2
SCHEMBL10115272 0.86 ALDH1A1 (0.51) TDP1RXFP1LMNAALDH1A1USP2
SCHEMBL11935720 0.84 HTR1A (0.51) NPY5R
SCHEMBL11940090 0.84 HTR1A (0.51) NPY5R
SCHEMBL11935832 0.83 ALDH1A1 (0.53) LMNAALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL13565220 0.80 HSD17B10 (0.53) RXFP1LMNAALDH1A1SMN1; SMN2L3MBTL1

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed