SCHEMBL7940489

SCHEMBL7940489

COc1ccc(-c2ccc3cc(OC)ccc3c2Oc2ccc(NC(=O)CCBr)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.48
MTNR1B P49286 4/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PLAU P00749 1/20 0.46
HSD17B1 P14061 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
KDR P35968 4/20 0.44
LMNA P02545 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 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
SCHEMBL7940421 0.92 KDR (0.48) MTNR1AMTNR1BPLAUKDR
SCHEMBL7928830 0.88 PLAU (0.47) MTNR1AMTNR1BL3MBTL1PLAUHSD17B1
SCHEMBL7935093 0.84 MTNR1B (0.53) MTNR1AMTNR1BKMT2AMEN1CYP3A4
SCHEMBL7940509 0.83 MTNR1B (0.50) MTNR1AMTNR1BKMT2ACYP3A4PLAU
SCHEMBL7938151 0.83 PLAU (0.42) MTNR1AMTNR1BKMT2AMEN1PLAU
SCHEMBL7928850 0.82 KDR (0.63) KMT2AMEN1ALDH1A1KDR
SCHEMBL7937751 0.81 KMT2A (0.47) MTNR1AMTNR1BKMT2AMEN1CYP3A4
SCHEMBL7937755 0.79 FGFR1 (0.44) MTNR1AMTNR1BPLAUHSD17B1KDR
SCHEMBL7938155 0.79 MTNR1B (0.50) MTNR1AMTNR1BKMT2ACYP3A4PLAU
SCHEMBL8497879 0.78 KMT2A (0.42) KMT2AALDH1A1HTTLMNA

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