SCHEMBL6559038

SCHEMBL6559038

CCC(=O)NCCc1ccnc2ccc(OC)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 1.00
MTNR1B P49286 13/20 1.00

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
SCHEMBL6559881 0.88 MTNR1B (1.00) MTNR1AMTNR1B
SCHEMBL6560401 0.85 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL6558990 0.84 MTNR1A (0.75) MTNR1AMTNR1B
SCHEMBL6559728 0.81 MTNR1A (0.69) MTNR1AMTNR1B
SCHEMBL18869133 0.81 MTNR1A (0.68) MTNR1AMTNR1B
SCHEMBL6559028 0.81 MTNR1B (0.86) MTNR1AMTNR1B
SCHEMBL2095741 0.79 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL4081621 0.79 MTNR1A (0.64) MTNR1AMTNR1B
SCHEMBL6560424 0.79 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL592246 0.79 MTNR1A (0.67) 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
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