SCHEMBL8646256

SCHEMBL8646256

COc1ccc2c(c1)C(CCNC(=O)C1CCCC1)c1cc(OC)ccc1-2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.55
MTNR1B P49286 14/20 0.55
NQO2 P16083 7/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL8643820 0.98 MTNR1A (0.58) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8638751 0.95 MTNR1A (0.54) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8643655 0.91 MTNR1A (0.53) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8643878 0.88 MTNR1A (0.52) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8643630 0.82 MTNR1A (0.60) MTNR1AMTNR1BNQO2
SCHEMBL8639949 0.80 MTNR1A (0.49) MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL8646700 0.80 MTNR1A (0.61) MTNR1AMTNR1BNQO2
SCHEMBL9017429 0.79 MTNR1A (0.49) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8641737 0.79 MTNR1A (0.62) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8646238 0.79 MTNR1A (0.48) MTNR1AMTNR1BNQO2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747345-A2 Ethylamido fluorenes and improved method of making same BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP claimed
JP-8333315-A None JP disclosed
US-5736578-A TREATMENT OF SLEEP DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-07 US disclosed
JP-H08333315-A ETHYLAMIDO FLUORENE AND ITS IMPROVED PRODUCTION BRISTOL MYERS SQUIBB CO 1996-12-17 JP disclosed
EP-0747345-A2 Ethylamido fluorenes and improved method of making same BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed