SCHEMBL6637527

SCHEMBL6637527

COc1ccc2ccc(OC)c3c2c1CCC3CCNC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 1.00
MTNR1B P49286 18/20 1.00
NQO2 P16083 1/20 0.65
HTR2C P28335 2/20 0.58

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
SCHEMBL6640384 0.93 MTNR1A (0.87) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL6634192 0.93 MTNR1A (0.87) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL6632779 0.89 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL6637051 0.89 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL6631892 0.88 MTNR1B (1.00) MTNR1AMTNR1BHTR2C
SCHEMBL6635577 0.88 MTNR1B (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL6632759 0.87 MTNR1B (1.00) MTNR1AMTNR1BNQO2
SCHEMBL6633599 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL6635188 0.79 MTNR1B (1.00) MTNR1AMTNR1B
SCHEMBL6632868 0.79 MTNR1B (1.00) MTNR1AMTNR1B

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 4 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 claimed
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US claimed
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