SCHEMBL8885662

SCHEMBL8885662

COCC(=O)NCCC1CCCc2ccc(OC)cc21

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.80
MTNR1B P49286 15/20 0.72
NQO2 P16083 14/20 0.72
TRPV1 Q8NER1 1/20 0.64

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
SCHEMBL8886578 0.93 MTNR1A (0.81) MTNR1AMTNR1BNQO2
SCHEMBL8885947 0.91 MTNR1A (0.67) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8887234 0.90 MTNR1A (0.87) MTNR1AMTNR1BNQO2
SCHEMBL8887000 0.88 MTNR1A (0.88) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7950130 0.87 MTNR1A (0.86) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7104353 0.87 MTNR1A (0.86) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7952293 0.85 MTNR1A (0.74) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL6265655 0.85 MTNR1A (0.74) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8888331 0.84 MTNR1A (0.73) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7956485 0.84 MTNR1A (0.87) MTNR1AMTNR1BNQO2TRPV1

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