SCHEMBL7971275

SCHEMBL7971275

O=C(O)C1CC2CCCCC2N1S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
ALDH1A1 P00352 6/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
EPHX2 P34913 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MMP2 P08253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AGTR2 P50052 1/20 0.41

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
SCHEMBL8327363 0.92 MMP2 (0.48) ALDH1A1GAATDP1PSEN1PSEN2
SCHEMBL8319435 0.89 MMP2 (0.48) ACHEALDH1A1GAAATMHTT
SCHEMBL3148192 0.88 ACHE (0.50) ACHEALDH1A1HTTLMNAEPHX2
SCHEMBL5310614 0.88 PSEN1 (0.59) ACHEALDH1A1HTTLMNATDP1
SCHEMBL8320723 0.85 PSEN1 (0.43) ACHEALDH1A1ATMHTTLMNA
SCHEMBL2964063 0.85 PSEN1 (0.43) ACHEALDH1A1ATMHTTLMNA
SCHEMBL8327403 0.85 TDP1 (0.41) ACHEALDH1A1GAAATMHTT
SCHEMBL8320725 0.85 EPHX2 (0.42) ACHEALDH1A1ATMHTTLMNA
SCHEMBL8320747 0.85 TDP1 (0.41) ACHEALDH1A1GAAATMHTT
SCHEMBL2969395 0.85 TDP1 (0.41) ACHEALDH1A1GAAATMHTT

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 3 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
CN-1260345-A Hydrazide compound, its preparing method and medicine compositions thereof ADIR ET COMPANGIE (FR) 2000-07-19 CN disclosed