SCHEMBL7741832

SCHEMBL7741832

CCCC(=O)NCC1CCc2c(CC)ccc3occ1c23

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 10/20 0.50
MTNR1A P48039 9/20 0.50
NQO2 P16083 1/20 0.36

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
SCHEMBL7743442 0.78 HTR1A (0.44)
SCHEMBL7735711 0.74 MTNR1B (0.43) MTNR1BMTNR1ANQO2
SCHEMBL27521768 0.73 PDPK1 (0.36) MTNR1A
SCHEMBL7735727 0.72 MTNR1A (0.65) MTNR1BMTNR1ANQO2
SCHEMBL6633828 0.72 MTNR1A (0.58) MTNR1BMTNR1A
SCHEMBL6254036 0.70 MTNR1B (0.58) MTNR1BMTNR1A
SCHEMBL6632981 0.66 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL7740264 0.64 MTNR1B (0.69) MTNR1BMTNR1ANQO2
SCHEMBL6257306 0.64 MTNR1B (0.54) MTNR1BMTNR1A
SCHEMBL6632974 0.64 MTNR1B (1.00) MTNR1BMTNR1A

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
CN-1247528-C Novel tricyclic compounds, preparation method and pharmaceutical compositions containing same SIRVIR LAB (FR) 2006-03-29 CN disclosed
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed