SCHEMBL7940509

SCHEMBL7940509

COc1cccc(-c2ccc3cc(OC)ccc3c2Oc2ccc(NC(=O)CBr)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 10/20 0.50
MTNR1A P48039 6/20 0.50
PLG P00747 3/20 0.48
PLAU P00749 2/20 0.48
PLAT P00750 1/20 0.48
KLK1 P06870 2/20 0.43
KLK6 Q92876 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSD17B1 P14061 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
FPR1 P21462 1/20 0.42
FPR2 P25090 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
SCHEMBL7935128 0.93 MTNR1B (0.49) MTNR1BMTNR1APLGPLAUPLAT
SCHEMBL7940421 0.91 KDR (0.48) MTNR1BMTNR1APLGPLAUKLK1
SCHEMBL7938155 0.90 MTNR1B (0.50) MTNR1BMTNR1APLGPLAUPLAT
SCHEMBL7938151 0.86 PLAU (0.42) MTNR1BMTNR1APLGPLAUKLK1
SCHEMBL7935093 0.85 MTNR1B (0.53) MTNR1BMTNR1APLGPLAUPLAT
SCHEMBL7928941 0.83 RNF4 (0.51) MTNR1BMTNR1APLGPLAUPLAT
SCHEMBL7940489 0.83 MTNR1A (0.48) MTNR1BMTNR1APLAUCYP3A4KMT2A
SCHEMBL7937751 0.82 KMT2A (0.47) MTNR1BMTNR1ACYP3A4MAPTKMT2A
SCHEMBL7935140 0.82 MTNR1B (0.55) MTNR1BMTNR1APLGPLAUPLAT
SCHEMBL7928830 0.81 PLAU (0.47) MTNR1BMTNR1APLGPLAUKLK1

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