SCHEMBL7740272

SCHEMBL7740272

COc1ccc2occ3c2c1C(CNC(C)=O)CC3

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.66
MTNR1B P49286 18/20 0.65
MTNR1A P48039 18/20 0.65
HTR2C P28335 2/20 0.50
NQO2 P16083 1/20 0.48

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
SCHEMBL7740269 0.87 MTNR1B (0.61) HTR1AMTNR1BMTNR1ANQO2
SCHEMBL7735727 0.82 MTNR1A (0.65) HTR1AMTNR1BMTNR1ANQO2
SCHEMBL7743293 0.80 HTR1A (1.00) HTR1AMTNR1BMTNR1AHTR2C
SCHEMBL7740264 0.79 MTNR1B (0.69) HTR1AMTNR1BMTNR1ANQO2
SCHEMBL6631892 0.79 MTNR1B (1.00) MTNR1BMTNR1AHTR2C
SCHEMBL6633692 0.79 MTNR1B (1.00) MTNR1BMTNR1AHTR2C
SCHEMBL7741718 0.78 HTR1A (0.57) HTR1AMTNR1BMTNR1ANQO2
SCHEMBL7741709 0.78 HTR1A (0.81) HTR1AMTNR1BMTNR1AHTR2CNQO2
SCHEMBL7743295 0.73 HTR1A (0.63) HTR1AMTNR1BMTNR1A
SCHEMBL7735741 0.73 MTNR1A (0.51) HTR1AMTNR1BMTNR1AHTR2CNQO2

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