SCHEMBL6634046

SCHEMBL6634046

COc1ccc2cccc3c2c1CC(CCN)C3

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.44
MTNR1B P49286 8/20 0.44
CYP19A1 P11511 1/20 0.42
HTR2A P28223 1/20 0.41

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
SCHEMBL6638132 0.92 MTNR1A (0.42) MTNR1AMTNR1BCYP19A1
SCHEMBL6634360 0.89 MTNR1A (0.44) MTNR1AMTNR1BCYP19A1HTR2A
SCHEMBL7735732 0.80 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL10616643 0.79 ADRA1A (0.59) MTNR1AMTNR1B
SCHEMBL6635290 0.78 MTNR1A (0.62) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL10615473 0.78 ADRA1A (0.57) MTNR1AMTNR1B
SCHEMBL6636157 0.77 MTNR1B (0.65) MTNR1AMTNR1B
SCHEMBL6638097 0.77 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL6634680 0.77 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL10615302 0.74 CHRM2 (0.57)

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