SCHEMBL1387161

SCHEMBL1387161

CC(=O)NCCc1cccc2ccc3c(c12)C=CCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 1.00
MTNR1B P49286 15/20 1.00
NQO2 P16083 5/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 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
SCHEMBL1387164 0.81 MTNR1A (0.67) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL8168352 0.80 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL1387225 0.77 MTNR1A (0.87) MTNR1AMTNR1B
SCHEMBL1387212 0.75 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL8125899 0.72 MTNR1A (0.64) MTNR1AMTNR1B
SCHEMBL8126915 0.70 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL1387172 0.69 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL6075586 0.68 MTNR1A (0.51) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL1011204 0.67 MTNR1A (0.82) MTNR1AMTNR1BNQO2
SCHEMBL1010497 0.66 MTNR1A (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H10502336-A 1998-03-03 JP claimed
EP-0821681-A1 NAPHTHALENE DERIVATIVES, METHOD OF PREPARATION AND USE GLAXO GROUP LIMITED (GB) 1998-02-04 EP claimed
WO-1995029173-A1 NAPHTHALENE DERIVATIVES, METHOD OF PREPARATION AND USE GLAXO GROUP LIMITED (GB) 1995-11-02 WO claimed