SCHEMBL8886578

SCHEMBL8886578

COCC(=O)NCCC1CCc2ccc(OC)cc21

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.81
NQO2 P16083 17/20 0.81
MTNR1B P49286 17/20 0.81

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
SCHEMBL8885662 0.93 MTNR1A (0.80) MTNR1ANQO2MTNR1B
SCHEMBL4687318 0.89 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL135601 0.89 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL135600 0.89 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL8886440 0.87 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL4685396 0.87 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL4685402 0.87 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL7950319 0.87 MTNR1A (0.82) MTNR1ANQO2MTNR1B
SCHEMBL7950293 0.87 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL7956121 0.85 MTNR1A (1.00) MTNR1ANQO2MTNR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5661186-A MELATONERGIC EFFECT; CENTRAL NERVOUS SYSTEM DISODERS BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US claimed
EP-0728738-A1 Tetralinyl- and indanyl-ethylamides having melatonergic activity BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-28 EP claimed
US-5661186-A MELATONERGIC EFFECT; CENTRAL NERVOUS SYSTEM DISODERS BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US disclosed
EP-0728738-A1 Tetralinyl- and indanyl-ethylamides having melatonergic activity BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-28 EP disclosed