SCHEMBL17090495

SCHEMBL17090495

COC(=O)Cc1cccc(NCCCCCNS(=O)(=O)C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.43
HTR1A P08908 1/20 0.42
SLC7A5 Q01650 1/20 0.42
TLR7 Q9NYK1 4/20 0.40
NPY5R Q15761 5/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SYK P43405 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL17090501 0.88 ADRB2 (0.46) GRIA1HTR1ANPY5RADRB2ADRB3
SCHEMBL10113848 0.86 HDAC6 (0.50) HTR1ASMN1; SMN2LMNAHTTKMT2A
SCHEMBL13565562 0.84 GRIA1 (0.51) GRIA1HTR1ANPY5RKMT2A
SCHEMBL17090493 0.84 TLR7 (0.40) SLC7A5TLR7MTNR1AMTNR1BSYK
SCHEMBL17090496 0.82 KMT2A (0.48) GRIA1HTR1ANPY5RMTNR1AMTNR1B
SCHEMBL13565561 0.81 GRIA1 (0.47) GRIA1HTR1ANPY5RKMT2A
SCHEMBL11935002 0.81 SLC7A5 (0.47) SLC7A5TLR7MTNR1AMTNR1BSYK
SCHEMBL13565857 0.79 GRIA1 (0.51) GRIA1HTR1ANPY5RKMT2A
SCHEMBL11935080 0.79 HTR1A (0.50) GRIA1HTR1ANPY5RSMN1; SMN2LMNA
SCHEMBL11935049 0.79 HTR1A (0.61) GRIA1HTR1AKMT2A

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