SCHEMBL6559728

SCHEMBL6559728

CCC(=O)NCCc1cc(Cl)nc2ccc(OC)cc12

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.69
MTNR1B P49286 12/20 0.69

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
SCHEMBL6558999 0.88 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL6559745 0.86 MTNR1A (0.64) MTNR1AMTNR1B
SCHEMBL6559737 0.84 MTNR1A (0.63) MTNR1AMTNR1B
SCHEMBL6560424 0.84 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL6560437 0.83 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL6559038 0.81 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8961172 0.78 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL8961193 0.77 MTNR1A (0.76) MTNR1AMTNR1B
SCHEMBL5181401 0.77 MTNR1A (0.71) MTNR1AMTNR1B
SCHEMBL6559877 0.76 HTR6 (0.49)

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
EP-0837850-B1 4-ACYLAMINO(HALOGENO) ALKYL-QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MELATONIN AGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-09-01 EP claimed
EP-0837850-A1 4-ACYLAMINO(HALOGENO) ALKYL-QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MELATONIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 1998-04-29 EP claimed
WO-1997001539-A1 4-ACYLAMINO(HALOGENO) ALKYL-QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MELATONIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-16 WO claimed
EP-0837850-B1 4-ACYLAMINO(HALOGENO) ALKYL-QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MELATONIN AGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-09-01 EP disclosed
EP-0837850-A1 4-ACYLAMINO(HALOGENO) ALKYL-QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MELATONIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 1998-04-29 EP disclosed
US-5708005-A MELATONIN RECEPTOR BINDERS, SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-13 US disclosed
WO-1997001539-A1 4-ACYLAMINO(HALOGENO) ALKYL-QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MELATONIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-16 WO disclosed