SCHEMBL8884045

SCHEMBL8884045

CCCCC(=O)NCCc1csc2ccc(CC)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 1.00
MTNR1B P49286 3/20 0.52
HSD17B10 Q99714 3/20 0.46
TRPV1 Q8NER1 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8881811 0.94 MTNR1A (0.89) MTNR1AMTNR1B
SCHEMBL8883537 0.88 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7022006 0.87 MTNR1A (0.77) MTNR1AMTNR1BTRPV1
SCHEMBL7016887 0.86 MTNR1A (0.76) MTNR1AMTNR1BHSD17B10
SCHEMBL7017936 0.84 MTNR1A (1.00) MTNR1AMTNR1BHSD17B10
SCHEMBL1924859 0.84 MTNR1A (0.79) MTNR1AMTNR1BHSD17B10MAPT
SCHEMBL3813950 0.83 MTNR1A (0.71) MTNR1AMTNR1BHSD17B10TRPV1MEN1
SCHEMBL8883384 0.82 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL27449304 0.81 MTNR1A (0.67) MTNR1AMTNR1BHSD17B10
SCHEMBL6077096 0.81 MTNR1A (0.67) MTNR1AMTNR1BTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693665-A TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 1997-12-02 US claimed