SCHEMBL7740360

SCHEMBL7740360

COc1ccc2[nH]cc3c2c1CCC3CN

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.67
MTNR1B P49286 10/20 0.67
HTR1A P08908 1/20 0.43
HTR2A P28223 2/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ADRA1A P35348 2/20 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
SCHEMBL7741773 0.90 MTNR1A (0.65) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL7735737 0.83 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL7735692 0.81 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7741788 0.75 MTNR1B (0.67) MTNR1AMTNR1B
SCHEMBL6635715 0.75 MTNR1A (0.65) MTNR1AMTNR1BHTR1A
Hydrochloric Acid SCHEMBL7735712 0.74 MTNR1A (0.64) MTNR1AMTNR1BHTR1A
SCHEMBL7743365 0.74 HTR1A (0.43) MTNR1AMTNR1BHTR1AHTR2AADRA1A
SCHEMBL7741698 0.74 HTR1A (0.65) MTNR1AMTNR1BHTR1AHTR2AADRA1A
SCHEMBL3288209 0.73 ADRA2A (0.53) HTR1AHTR2AADRA1AADRA2AADRA2B
SCHEMBL6634512 0.72 MTNR1A (0.64) MTNR1AMTNR1BHTR1AHTR2A

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