SCHEMBL8886440

SCHEMBL8886440

CCCC(=O)NCCC1CCc2ccc(OC)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 1.00
NQO2 P16083 16/20 1.00
MTNR1B P49286 16/20 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
SCHEMBL7956121 0.93 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL8887000 0.93 MTNR1A (0.88) MTNR1ANQO2MTNR1B
SCHEMBL8888092 0.91 MTNR1A (0.83) MTNR1ANQO2MTNR1B
SCHEMBL135600 0.91 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL135601 0.91 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL4687318 0.91 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL8886982 0.88 MTNR1A (0.78) MTNR1ANQO2MTNR1B
SCHEMBL8886578 0.87 MTNR1A (0.81) MTNR1ANQO2MTNR1B
SCHEMBL8886488 0.86 MTNR1A (0.76) MTNR1ANQO2MTNR1B
SCHEMBL8887869 0.86 MTNR1A (0.76) 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 6 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
JP-8268987-A None JP disclosed
US-5661186-A MELATONERGIC EFFECT; CENTRAL NERVOUS SYSTEM DISODERS BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US disclosed
JP-H08268987-A TETRALINYL-AND INDANYL-ETHYLAMIDE DERIVATIVE BRISTOL MYERS SQUIBB CO 1996-10-15 JP disclosed
EP-0728738-A1 Tetralinyl- and indanyl-ethylamides having melatonergic activity BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-28 EP disclosed