SCHEMBL8916581

SCHEMBL8916581

CC(=O)NCCC1CCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.69
MTNR1B P49286 15/20 0.69
NQO2 P16083 6/20 0.64

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
SCHEMBL1567239 0.87 MTNR1A (0.71) MTNR1AMTNR1BNQO2
SCHEMBL16130554 0.85 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL7955977 0.82 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL5343123 0.82 MTNR1A (0.77) MTNR1AMTNR1BNQO2
SCHEMBL5335504 0.81 MTNR1A (0.71) MTNR1AMTNR1BNQO2
SCHEMBL5341422 0.81 MTNR1A (0.71) MTNR1AMTNR1BNQO2
SCHEMBL5339853 0.81 MTNR1A (0.71) MTNR1AMTNR1BNQO2
SCHEMBL5335761 0.80 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL8886469 0.79 MTNR1A (0.82) MTNR1AMTNR1BNQO2
SCHEMBL4685402 0.79 MTNR1A (1.00) MTNR1AMTNR1BNQO2

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-5686452-A PROTECTING FROM ENDOTOXIN SHOCK; TREATMENT OF NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-11-11 US disclosed