SCHEMBL8997679

SCHEMBL8997679

C=CCC1CC(=O)C(C(=O)OC)c2ccc(OC)nc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.32
MTNR1B P49286 6/20 0.32
HTR2C P28335 3/20 0.32
HTR1A P08908 1/20 0.30

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
SCHEMBL924440 0.71 RORC (0.37) MTNR1AMTNR1BHTR2C
SCHEMBL31397659 0.71 RORC (0.37) MTNR1AMTNR1BHTR2C
SCHEMBL7926425 0.66 HTR1A (0.49) MTNR1AMTNR1BHTR1A
SCHEMBL7952626 0.60 BRD4 (0.40)
SCHEMBL8997714 0.60 HTR2C (0.31) MTNR1AMTNR1BHTR2C
SCHEMBL18231269 0.59 TLR4 (0.34) HTR1A
SCHEMBL11934303 0.57 KMT2A (0.37)
SCHEMBL17656944 0.56 DRD2 (0.40) MTNR1AMTNR1BHTR2C
SCHEMBL8116003 0.56 SRD5A1 (0.47) MTNR1AMTNR1BHTR2C
SCHEMBL50426 0.56 KDM4E (0.49) 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-5547960-A ACETYLCHOLINESTERASE INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1996-08-20 US disclosed