SCHEMBL7741724

SCHEMBL7741724

CCc1ccc2occ3c2c1C(CN)CC3

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.67
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL7743293 0.80 HTR1A (1.00) HTR1AMTNR1AMTNR1B
SCHEMBL27521986 0.78 HTR1A (0.44) HTR1A
SCHEMBL7735711 0.76 MTNR1B (0.43) HTR1AMTNR1AMTNR1B
SCHEMBL7743442 0.76 HTR1A (0.44) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL7741706 0.70 HTR1A (0.53) HTR1A
SCHEMBL7741709 0.70 HTR1A (0.81) HTR1AMTNR1AMTNR1B
SCHEMBL7735741 0.66 MTNR1A (0.51) HTR1AMTNR1AMTNR1B
SCHEMBL7740264 0.65 MTNR1B (0.69) HTR1AMTNR1AMTNR1B
SCHEMBL7741698 0.64 HTR1A (0.65) HTR1AMTNR1AMTNR1BADRA2AADRA2B
SCHEMBL7740272 0.64 HTR1A (0.66) HTR1AMTNR1AMTNR1B

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