SCHEMBL8858753

SCHEMBL8858753

CCC(=O)NCC(C(=O)OC)c1cccc2ccc(OC)cc12

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.79
MTNR1B P49286 14/20 0.79
HTR2C P28335 6/20 0.72
NQO2 P16083 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
SCHEMBL8858638 0.88 MTNR1A (1.00) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL3946523 0.86 MTNR1A (0.78) MTNR1AMTNR1BHTR2C
SCHEMBL3944712 0.86 MTNR1A (0.78) MTNR1AMTNR1BHTR2C
SCHEMBL8858508 0.86 MTNR1A (0.74) MTNR1AMTNR1BHTR2C
SCHEMBL8858550 0.86 MTNR1A (0.57) MTNR1AMTNR1BHTR2C
SCHEMBL3327602 0.85 MTNR1A (0.74) MTNR1AMTNR1BHTR2C
SCHEMBL8858533 0.84 MTNR1A (0.76) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL3834460 0.84 MTNR1A (1.00) MTNR1AMTNR1BHTR2C
SCHEMBL3831576 0.84 MTNR1A (1.00) MTNR1AMTNR1BHTR2C
SCHEMBL3831492 0.84 MTNR1A (1.00) MTNR1AMTNR1BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616614-A USEFUL IN TREATMENT OF DISORDERS LINKED TO ABNORMAL MELATONIN ACTIVITY ADIR ET COMPAGNIE (FR) 1997-04-01 US disclosed
US-5420158-A Melatonin activity ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed