SCHEMBL7740358

SCHEMBL7740358

CCCCCCN(CCC1CCc2c(OC)ccc3occ1c23)C(=O)CCC

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.41
MTNR1B P49286 14/20 0.41
HTR1A P08908 1/20 0.38

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
SCHEMBL7741718 0.73 HTR1A (0.57) MTNR1AMTNR1BHTR1A
SCHEMBL6633828 0.66 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL7740264 0.63 MTNR1B (0.69) MTNR1AMTNR1BHTR1A
SCHEMBL7741832 0.62 MTNR1B (0.50) MTNR1AMTNR1B
SCHEMBL4147410 0.62 CA12 (0.48)
SCHEMBL4149765 0.62 CA12 (0.48)
SCHEMBL4162077 0.62 CA12 (0.48)
SCHEMBL4148489 0.62 CA12 (0.48)
SCHEMBL26048473 0.62 CA12 (0.48)
SCHEMBL4144163 0.62 CA12 (0.48)

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-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed