SCHEMBL8640441

SCHEMBL8640441

CCCC(=O)NCCC1c2cc(OC)ccc2-c2ccc(OC)cc21

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.63
MTNR1A P48039 6/20 0.63
MTNR1B P49286 6/20 0.63

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
SCHEMBL8639790 0.94 MTNR1A (0.57) NQO2MTNR1AMTNR1B
SCHEMBL8644423 0.93 MTNR1A (0.57) NQO2MTNR1AMTNR1B
SCHEMBL8646700 0.90 MTNR1A (0.61) NQO2MTNR1AMTNR1B
SCHEMBL8639949 0.87 MTNR1A (0.49) NQO2MTNR1AMTNR1B
SCHEMBL8646238 0.86 MTNR1A (0.48) NQO2MTNR1AMTNR1B
SCHEMBL9017426 0.84 MTNR1A (0.56) NQO2MTNR1AMTNR1B
SCHEMBL9017425 0.84 MTNR1A (0.57) NQO2MTNR1AMTNR1B
SCHEMBL8643630 0.84 MTNR1A (0.60) NQO2MTNR1AMTNR1B
SCHEMBL8641029 0.82 MTNR1A (0.56) NQO2MTNR1AMTNR1B
SCHEMBL9017429 0.81 MTNR1A (0.49) NQO2MTNR1AMTNR1B

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-5736578-A TREATMENT OF SLEEP DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-07 US claimed
CN-1145895-A New amido-ethyl substituted fluorene compound and its prepn. BRISTOL MYERS SQUIBB CO (US) 1997-03-26 CN claimed
EP-0747345-A2 Ethylamido fluorenes and improved method of making same BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP claimed
US-5736578-A TREATMENT OF SLEEP DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-07 US disclosed
CN-1145895-A New amido-ethyl substituted fluorene compound and its prepn. BRISTOL MYERS SQUIBB CO (US) 1997-03-26 CN disclosed
EP-0747345-A2 Ethylamido fluorenes and improved method of making same BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed