SCHEMBL6636372

SCHEMBL6636372

COc1ccc2cccc3c2c1C(CN)CC3

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 17/20 0.66
MTNR1A P48039 16/20 0.66
HTR1A P08908 2/20 0.60

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
SCHEMBL6636354 0.86 MTNR1B (0.64) MTNR1BMTNR1AHTR1A
SCHEMBL6634512 0.85 MTNR1A (0.64) MTNR1BMTNR1AHTR1A
SCHEMBL6635913 0.83 MTNR1B (0.61) MTNR1BMTNR1AHTR1A
SCHEMBL7743388 0.82 MTNR1B (0.70) MTNR1BMTNR1A
SCHEMBL6635577 0.80 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL6633692 0.79 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL6636157 0.78 MTNR1B (0.65) MTNR1BMTNR1A
SCHEMBL6635715 0.78 MTNR1A (0.65) MTNR1BMTNR1AHTR1A
Hydrochloric Acid SCHEMBL7735712 0.77 MTNR1A (0.64) MTNR1BMTNR1AHTR1A
SCHEMBL6634273 0.77 MTNR1B (0.81) MTNR1BMTNR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047664-B1 NOVEL TRICYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2004-05-19 EP disclosed
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed