SCHEMBL7741217

SCHEMBL7741217

COc1ccc2scc3c2c1CCC3CN(C)C(C)=S

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.39
MTNR1B P49286 16/20 0.39
ADRA1A P35348 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL7735721 0.89 MTNR1A (0.45) MTNR1AMTNR1B
SCHEMBL7743365 0.79 HTR1A (0.43) MTNR1AMTNR1BADRA1AADRA2AADRA2B
SCHEMBL7743369 0.70 NR1I2 (0.40) MTNR1AMTNR1BADRA1A
SCHEMBL7743343 0.70 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL7735697 0.67 MTNR1A (0.44) MTNR1AMTNR1B
SCHEMBL6634564 0.65 MTNR1B (0.66) MTNR1AMTNR1B
SCHEMBL7743321 0.62 HTR1A (0.58) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL11001604 0.60 ADRA1A (0.55) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL7740248 0.58 HTR1A (0.56) MTNR1AMTNR1BADRA1A
SCHEMBL7741698 0.57 HTR1A (0.65) MTNR1AMTNR1BADRA1AADRA2AADRA2B

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