SCHEMBL7735697

SCHEMBL7735697

COc1ccc2c3c(cn2C)C(CN(C)C(C)=O)CCc13

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.44
MTNR1B P49286 19/20 0.44

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
SCHEMBL7741203 0.86 ADRA2A (0.42)
SCHEMBL7735721 0.77 MTNR1A (0.45) MTNR1AMTNR1B
SCHEMBL6634564 0.68 MTNR1B (0.66) MTNR1AMTNR1B
SCHEMBL7741217 0.67 MTNR1A (0.39) MTNR1AMTNR1B
SCHEMBL30285011 0.62 CHRM2 (0.47) MTNR1AMTNR1B
SCHEMBL12087430 0.62 CHRM2 (0.47) MTNR1AMTNR1B
SCHEMBL6631892 0.61 MTNR1B (1.00) MTNR1AMTNR1B
SCHEMBL7735692 0.59 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6634020 0.59 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6633916 0.59 MTNR1A (0.70) 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-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed