SCHEMBL7959971

SCHEMBL7959971

O=C(NC(Cc1ccccc1)C(=O)C(=O)Cc1c[nH]c2ccccc12)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.64
NMBR P28336 3/20 0.63
MAPT P10636 2/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
LMNA P02545 1/20 0.58
SSTR1 P30872 1/20 0.56
SLC6A2 P23975 1/20 0.55
FNTA P49354 1/20 0.55
FNTB P49356 1/20 0.55
MME P08473 3/20 0.54
ECE1 P42892 2/20 0.54
CA2 P00918 1/20 0.54
BMP1 P13497 1/20 0.53
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP14 P50281 1/20 0.52
TACR1 P25103 1/20 0.52
ACE P12821 1/20 0.51

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
SCHEMBL8116312 0.87 SLC6A2 (0.62) MAPTSLC6A2FNTAFNTBECE1
SCHEMBL29386277 0.84 NMBR (0.76) CASP1NMBRMAPTGAAHTT
SCHEMBL29935468 0.84 NMBR (0.76) CASP1NMBRMAPTGAAHTT
SCHEMBL12118582 0.84 NMBR (0.76) CASP1NMBRMAPTGAAHTT
SCHEMBL29401161 0.84 NMBR (0.76) CASP1NMBRMAPTGAAHTT
SCHEMBL3808330 0.84 NMBR (0.76) CASP1NMBRMAPTGAAHTT
SCHEMBL1285921 0.84 NMBR (0.76) CASP1NMBRMAPTGAAHTT
SCHEMBL3265534 0.84 NMBR (0.76) CASP1NMBRMAPTGAAHTT
SCHEMBL29401760 0.84 NMBR (0.76) CASP1NMBRMAPTGAAHTT
SCHEMBL220800 0.84 NMBR (0.76) CASP1NMBRMAPTGAAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271247-B1 BINDING TO NEUROPEPTIDE RECEPTORS ADIR ET COMPAGNIE (FR) 2001-08-07 US disclosed
US-6172108-B1 NEUROPEPTIDE Y RECEPTOR LIGANDS; TREATING PSYCHOLOGICAL, EATING, SLEEP, AND SEXUAL DISORDERS; HYPOTENSIVE, ANXIOLYTIC, ANTIDEPRESSANT, AND ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 2001-01-09 US disclosed