SCHEMBL7935140

SCHEMBL7935140

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 14/20 0.55
MTNR1A P48039 8/20 0.55
PLAU P00749 2/20 0.45
HSD17B1 P14061 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
PLG P00747 1/20 0.44
PLAT P00750 1/20 0.44

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 0.92 RNF4 (0.51) MTNR1BMTNR1APLAUKMT2AMEN1
SCHEMBL7935093 0.91 MTNR1B (0.53) MTNR1BMTNR1APLAUHSD17B1KMT2A
SCHEMBL7935128 0.89 MTNR1B (0.49) MTNR1BMTNR1APLAUKMT2AMEN1
SCHEMBL7938155 0.85 MTNR1B (0.50) MTNR1BMTNR1APLAUKMT2ACYP3A4
SCHEMBL7940509 0.82 MTNR1B (0.50) MTNR1BMTNR1APLAUHSD17B1KMT2A
SCHEMBL7183920 0.79 FFAR1 (0.50) MTNR1BMTNR1A
SCHEMBL6050235 0.78 MIF (0.46) KMT2AMEN1CYP3A4
SCHEMBL8500385 0.78 TDP1 (0.47) MTNR1BMTNR1A
SCHEMBL7937751 0.78 KMT2A (0.47) MTNR1BMTNR1AKMT2AMEN1CYP3A4
SCHEMBL7937164 0.76 MTNR1B (0.47) MTNR1BPLAUKMT2AMEN1

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