SCHEMBL7743313

SCHEMBL7743313

COc1ccc2cc3c(cc2c1)C(NC(C)=O)CCC3

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
MTNR1A P48039 4/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
MTNR1B P49286 2/20 0.48
TAOK1 Q7L7X3 1/20 0.44
TAOK3 Q9H2K8 1/20 0.44

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
SCHEMBL7741751 1.00 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2MTNR1AMEN1
SCHEMBL11602838 0.87 MEN1 (0.57) TAS1R3TAS1R1TAS1R2MTNR1AMEN1
SCHEMBL14277944 0.87 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2MTNR1AMEN1
SCHEMBL608095 0.87 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2MTNR1AMEN1
SCHEMBL4710772 0.79 CA12 (0.64) TAS1R3TAS1R1TAS1R2MTNR1AMEN1
SCHEMBL8501324 0.79 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL4427914 0.79 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL2466357 0.79 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL7743382 0.75 ACHE (0.46)
SCHEMBL7740227 0.75 MTNR1A (0.78) 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 3 patents. 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
EP-1047664-A1 NOVEL TRICYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-11-02 EP disclosed
WO-1999036392-A1 NOVEL TRICYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1999-07-22 WO disclosed