SCHEMBL7938155

SCHEMBL7938155

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 9/20 0.50
MTNR1A P48039 6/20 0.50
RNF4 P78317 1/20 0.49
PLG P00747 3/20 0.48
PLAU P00749 2/20 0.48
PLAT P00750 1/20 0.48
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
MITF O75030 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
GMPS P49915 1/20 0.43
KLK1 P06870 2/20 0.43
KLK6 Q92876 2/20 0.43
SMN1; SMN2 Q16637 1/20 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

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
SCHEMBL7928941 0.93 RNF4 (0.51) MTNR1BMTNR1ARNF4PLGPLAU
SCHEMBL7928830 0.91 PLAU (0.47) MTNR1BMTNR1ARNF4PLGPLAU
SCHEMBL7940509 0.90 MTNR1B (0.50) MTNR1BMTNR1APLGPLAUPLAT
SCHEMBL7937755 0.86 FGFR1 (0.44) MTNR1BMTNR1ARNF4PLGPLAU
SCHEMBL7935140 0.85 MTNR1B (0.55) MTNR1BMTNR1APLGPLAUPLAT
SCHEMBL7935128 0.83 MTNR1B (0.49) MTNR1BMTNR1APLGPLAUPLAT
SCHEMBL7935093 0.82 MTNR1B (0.53) MTNR1BMTNR1APLGPLAUPLAT
SCHEMBL7940421 0.81 KDR (0.48) MTNR1BMTNR1APLGPLAUKLK1
SCHEMBL6050136 0.79 ESR1 (0.50) CYP3A4CYP2C19KMT2A
SCHEMBL8502205 0.79 MTNR1A (0.43) MTNR1BMTNR1APLGPLAUPLAT

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