SCHEMBL7017969

SCHEMBL7017969

COc1ccc2scc(CCNC(=O)C3CC3)c2c1

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 13/20 1.00
ALDH1A1 P00352 1/20 0.63
NQO2 P16083 1/20 0.56

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
SCHEMBL9121699 0.96 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1NQO2
SCHEMBL7017107 0.95 MTNR1A (0.94) MTNR1AMTNR1BALDH1A1NQO2
SCHEMBL9118982 0.95 MTNR1A (0.94) MTNR1AMTNR1BALDH1A1NQO2
SCHEMBL7024784 0.84 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1NQO2
SCHEMBL9122318 0.84 MTNR1A (0.73) MTNR1AMTNR1BALDH1A1
SCHEMBL5340167 0.83 MTNR1A (0.71) MTNR1AMTNR1B
SCHEMBL7018441 0.83 MTNR1A (0.71) MTNR1AMTNR1BALDH1A1
SCHEMBL8882361 0.83 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL7021129 0.82 MTNR1A (0.78) MTNR1AMTNR1BNQO2
SCHEMBL6077010 0.82 MTNR1A (0.70) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380750-A Arylethylamine compounds ADIR ET COMPAGNIE (FR) 1995-01-10 US claimed
EP-1057826-B1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-04-16 EP disclosed
US-6310074-B1 TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-10-30 US disclosed
EP-1057826-A1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-12-06 EP disclosed
US-5380750-A Arylethylamine compounds ADIR ET COMPAGNIE (FR) 1995-01-10 US disclosed
US-5308866-A Treatment of melatonin related disorders, sleep disorders, psychological disorders ADIR ET COMPAGNIE (FR) 1994-05-03 US disclosed
US-5276051-A Treatment of melatoninergic system, antiischemic agents and skin disorders using aminoalkylindole compounds ADIR ET COMPAGNIE (FR) 1994-01-04 US disclosed