SCHEMBL7935128

SCHEMBL7935128

COc1cccc(-c2ccc3ccccc3c2Oc2ccc(NC(=O)CBr)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 7/20 0.49
MTNR1A P48039 5/20 0.49
PLAU P00749 2/20 0.47
PLG P00747 1/20 0.45
PLAT P00750 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
POLB P06746 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
PGR P06401 1/20 0.43
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7940509 0.93 MTNR1B (0.50) MTNR1BMTNR1APLAUPLGPLAT
SCHEMBL7935093 0.92 MTNR1B (0.53) MTNR1BMTNR1APLAUPLGPLAT
SCHEMBL7928941 0.90 RNF4 (0.51) MTNR1BMTNR1APLAUPLGPLAT
SCHEMBL7937751 0.90 KMT2A (0.47) MTNR1BMTNR1AKMT2AMEN1POLB
SCHEMBL7935140 0.89 MTNR1B (0.55) MTNR1BMTNR1APLAUPLGPLAT
SCHEMBL7937164 0.87 MTNR1B (0.47) MTNR1BPLAUKMT2AMEN1MAPT
SCHEMBL7940421 0.84 KDR (0.48) MTNR1BMTNR1APLAUPLG
SCHEMBL7938155 0.83 MTNR1B (0.50) MTNR1BMTNR1APLAUPLGPLAT
SCHEMBL6050235 0.80 MIF (0.46) KMT2AMEN1CYP3A4CYP2C19
SCHEMBL8500385 0.80 TDP1 (0.47) MTNR1BMTNR1ADGAT2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835868-B1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods LILLY CO ELI (US) 2001-08-29 EP disclosed
US-5929090-A NOVEL COMPOUNDS FOR TREATING ESTROGEN DEPRIVATION CAUSED BY MENOPAUSE OR OVARIECTOMY; TREATING OSTEOPOROSIS, CARDIOVASCULAR DISEASES, AND ENDOMETRIOSIS ELI LILLY AND COMPANY (US) 1999-07-27 US disclosed
EP-0835868-A1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed