SCHEMBL8961271

SCHEMBL8961271

CC(=O)NCCc1cc(Cc2ccccc2)cc2ccc(OC3CCCCC3)cc12

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.72
HTR2C P28335 3/20 0.57
MTNR1B P49286 12/20 0.52
HTR2B P41595 1/20 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
SCHEMBL8961160 0.88 MTNR1A (0.73) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL8961156 0.85 MTNR1A (0.74) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL8960973 0.85 MTNR1A (0.72) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL8610088 0.84 MTNR1A (1.00) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL8961291 0.84 MTNR1A (0.73) MTNR1AHTR2CMTNR1B
SCHEMBL8961125 0.82 MTNR1A (0.80) MTNR1AHTR2CMTNR1B
SCHEMBL8961085 0.82 MTNR1A (0.80) MTNR1AHTR2CMTNR1B
SCHEMBL8961103 0.81 MTNR1A (0.72) MTNR1AHTR2CMTNR1B
SCHEMBL8961093 0.81 MTNR1A (0.68) MTNR1AHTR2CMTNR1BHTR2B
SCHEMBL8961104 0.81 MTNR1A (0.77) 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-5552418-A FOR TREATING DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1996-09-03 US disclosed