SCHEMBL9303476

SCHEMBL9303476

Cc1ccccc1CCC(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
MTNR1A P48039 2/20 0.70
GFER P55789 1/20 0.67
AANAT Q16613 1/20 0.65
MAPT P10636 6/20 0.65
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
PKM P14618 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
BLM P54132 1/20 0.64
ALDH1A1 P00352 2/20 0.64
BCHE P06276 1/20 0.62
ACHE P22303 1/20 0.62
GAA P10253 3/20 0.61
SIRT1 Q96EB6 1/20 0.60

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
SCHEMBL7677886 0.91 MEN1 (0.84) MEN1KMT2AMTNR1AGFERAANAT
SCHEMBL7853106 0.89 MAPT (0.66) MEN1KMT2AMTNR1AGFERMAPT
SCHEMBL7849865 0.88 MEN1 (0.74) MEN1KMT2AMTNR1AGFERAANAT
SCHEMBL761481 0.86 MTNR1A (0.88) MEN1KMT2AMTNR1AGFERAANAT
SCHEMBL9303912 0.85 MEN1 (0.71) MEN1KMT2AMTNR1AGFERAANAT
SCHEMBL7851164 0.85 MEN1 (0.71) MEN1KMT2AMTNR1AGFERAANAT
SCHEMBL9302879 0.85 MEN1 (0.71) MEN1KMT2AMTNR1AGFERAANAT
SCHEMBL9751554 0.85 MEN1 (0.67) MEN1KMT2AMTNR1AGFERAANAT
SCHEMBL27099044 0.85 MTNR1A (0.77) MEN1KMT2AMTNR1AGFERAANAT
SCHEMBL7843167 0.84 GFER (0.80) MEN1KMT2AMTNR1AGFERAANAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283343-A Melatonin antagonists WHITBY RESEARCH, INC. (US) 1994-02-01 US disclosed
US-5093352-A Melatonin inhibitor, sleep, 2-aryl N-acetyl tryptamine WHITBY RESEARCH, INC. (US) 1992-03-03 US disclosed
EP-0375726-A4 MELATONIN ANALOGUES 1991-01-30 EP disclosed
EP-0375726-A1 MELATONIN ANALOGUES Whitby Research Incorporated (US) 1990-07-04 EP disclosed
WO-1989001472-A1 MELATONIN ANALOGUES NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-02-23 WO disclosed