SCHEMBL9302255

SCHEMBL9302255

O=C(CCc1cccc(O)c1)NCCc1c[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.70
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
MTNR1A P48039 2/20 0.63
TRPV1 Q8NER1 5/20 0.62
AANAT Q16613 1/20 0.61
PTGS1 P23219 1/20 0.60
GSK3B P49841 1/20 0.59
HSD17B2 P37059 1/20 0.59
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
SIRT1 Q96EB6 1/20 0.56

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
SCHEMBL7855224 0.88 MEN1 (0.66) GFERMEN1KMT2ATRPV1PTGS1
SCHEMBL9117842 0.88 MEN1 (0.76) GFERMEN1KMT2AMTNR1ATRPV1
SCHEMBL9304098 0.88 MEN1 (0.67) GFERMEN1KMT2AMTNR1AAANAT
SCHEMBL12009643 0.87 GFER (0.91) GFERMEN1KMT2AMTNR1ATRPV1
SCHEMBL7677886 0.85 MEN1 (0.84) GFERMEN1KMT2AMTNR1AAANAT
SCHEMBL9304042 0.85 KMT2A (0.67) GFERMEN1KMT2AMTNR1A
SCHEMBL7852138 0.83 GFER (0.69) GFERMEN1KMT2AMTNR1AAANAT
SCHEMBL7852879 0.83 GFER (0.84) GFERMEN1KMT2AMTNR1AAANAT
SCHEMBL12009647 0.82 GFER (1.00) GFERMEN1KMT2AMTNR1ATRPV1
SCHEMBL7849865 0.82 MEN1 (0.74) GFERMEN1KMT2AMTNR1AAANAT

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