SCHEMBL8917515

SCHEMBL8917515

COC(=O)CCC(=O)c1ccc2c(c1)CCC2CCNC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.60
MTNR1B P49286 19/20 0.60
NQO2 P16083 11/20 0.60
HTR2C P28335 2/20 0.47

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
SCHEMBL8886469 0.80 MTNR1A (0.82) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL27454882 0.80 CTNNB1 (0.38) MTNR1AMTNR1BNQO2
SCHEMBL8292532 0.78 MTNR1A (0.47) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7951693 0.75 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8916581 0.74 MTNR1A (0.69) MTNR1AMTNR1BNQO2
SCHEMBL8300330 0.73 TBXA2R (0.43) MTNR1AMTNR1BNQO2
SCHEMBL4685402 0.73 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL4685396 0.73 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7950293 0.73 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8296298 0.72 MTNR1A (0.44) MTNR1AMTNR1B

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