SCHEMBL7743365

SCHEMBL7743365

COc1ccc2scc3c2c1CCC3CN

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.43
HTR2A P28223 1/20 0.40
ADRA1A P35348 2/20 0.39
MTNR1A P48039 12/20 0.39
MTNR1B P49286 12/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 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
SCHEMBL7743321 0.79 HTR1A (0.58) HTR1AHTR2AMTNR1AMTNR1B
SCHEMBL7741217 0.79 MTNR1A (0.39) ADRA1AMTNR1AMTNR1BADRA2AADRA2B
SCHEMBL7735721 0.79 MTNR1A (0.45) MTNR1AMTNR1B
SCHEMBL7743369 0.77 NR1I2 (0.40) ADRA1AMTNR1AMTNR1B
SCHEMBL7743343 0.75 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL6635715 0.75 MTNR1A (0.65) HTR1AMTNR1AMTNR1B
SCHEMBL7741698 0.74 HTR1A (0.65) HTR1AHTR2AADRA1AMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7735712 0.74 MTNR1A (0.64) HTR1AMTNR1AMTNR1B
SCHEMBL7740360 0.74 MTNR1A (0.67) HTR1AHTR2AADRA1AMTNR1AMTNR1B
SCHEMBL3288209 0.73 ADRA2A (0.53) HTR1AHTR2AADRA1AADRA2AADRA2B

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