SCHEMBL9302426

SCHEMBL9302426

O=C(CCc1ccccc1[N+](=O)[O-])NCCc1c[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
GFER P55789 1/20 0.64
MTNR1A P48039 2/20 0.63
AANAT Q16613 1/20 0.61
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CDK2 P24941 1/20 0.60
FAAH O00519 1/20 0.58
TRPV1 Q8NER1 1/20 0.58
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
BLM P54132 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57

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 0.88 MEN1 (0.84) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL7849865 0.84 MEN1 (0.74) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL7677332 0.84 GFER (0.74) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL9302879 0.82 MEN1 (0.71) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL9303476 0.82 MEN1 (0.71) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL9303912 0.82 MEN1 (0.71) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL7851164 0.82 MEN1 (0.71) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL20797914 0.81 MC5R (0.68) MEN1KMT2AMAPTSMN1; SMN2CDK2
SCHEMBL32667932 0.81 MC5R (0.68) MEN1KMT2AMAPTSMN1; SMN2CDK2
SCHEMBL9117842 0.81 MEN1 (0.76) MEN1KMT2AGFERMTNR1AAANAT

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-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