SCHEMBL3946523

SCHEMBL3946523

CCC(=O)NCC(O)c1cccc2ccc(OC)cc12

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.78
MTNR1B P49286 13/20 0.76
HTR2C P28335 6/20 0.76
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ADRA1A P35348 1/20 0.54

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
SCHEMBL3944712 1.00 MTNR1A (0.78) MTNR1AMTNR1BHTR2CLMNACYP1A2
SCHEMBL1885895 0.88 MTNR1A (1.00) MTNR1AMTNR1BHTR2CLMNACYP1A2
SCHEMBL3327602 0.87 MTNR1A (0.74) MTNR1AMTNR1BHTR2C
SCHEMBL3831576 0.86 MTNR1A (1.00) MTNR1AMTNR1BHTR2C
SCHEMBL8858753 0.86 MTNR1A (0.79) MTNR1AMTNR1BHTR2C
SCHEMBL3831492 0.86 MTNR1A (1.00) MTNR1AMTNR1BHTR2C
SCHEMBL3834460 0.86 MTNR1A (1.00) MTNR1AMTNR1BHTR2C
SCHEMBL4584762 0.85 MTNR1A (0.82) MTNR1AMTNR1BHTR2C
SCHEMBL4582596 0.84 MTNR1A (0.84) MTNR1AMTNR1BHTR2C
Hydrochloric Acid SCHEMBL5125205 0.84 MTNR1A (0.80) MTNR1AMTNR1BHTR2C

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
WO-2009022066-A2 NOVEL NAPHTHALENE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-02-19 WO disclosed
WO-2009022066-A2 NOVEL NAPHTHALENE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-02-19 WO disclosed