SCHEMBL8638751

SCHEMBL8638751

COc1ccc2c(c1)C(CCNC(=O)C1CC1)c1cc(OC)ccc1-2

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.54
MTNR1B P49286 14/20 0.54
ALDH1A1 P00352 2/20 0.51
NQO2 P16083 3/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL8646256 0.95 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1NQO2KDM4E
SCHEMBL8643820 0.95 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1NQO2KDM4E
SCHEMBL8643878 0.93 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1NQO2KDM4E
SCHEMBL8643655 0.88 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1NQO2KDM4E
SCHEMBL8646700 0.84 MTNR1A (0.61) MTNR1AMTNR1BNQO2
SCHEMBL8643630 0.84 MTNR1A (0.60) MTNR1AMTNR1BNQO2
SCHEMBL8639949 0.82 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1NQO2
SCHEMBL8646238 0.81 MTNR1A (0.48) MTNR1AMTNR1BNQO2
SCHEMBL8641737 0.81 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1NQO2KDM4E
SCHEMBL9017429 0.81 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1NQO2KDM4E

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