SCHEMBL7938151

SCHEMBL7938151

COc1ccc2c(Oc3ccc(NC(=O)CBr)cc3)c(-c3ccc(OC)c(F)c3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.42
STIM1 Q13586 1/20 0.40
ORAI1 Q96D31 1/20 0.40
MTNR1B P49286 4/20 0.39
MTNR1A P48039 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDR P35968 4/20 0.39
POLB P06746 1/20 0.39
PLG P00747 2/20 0.38
KLK1 P06870 2/20 0.38
KLK6 Q92876 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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 0.89 KDR (0.48) PLAUMTNR1BMTNR1AKDRPLG
SCHEMBL7940509 0.86 MTNR1B (0.50) PLAUMTNR1BMTNR1APLGKLK1
SCHEMBL7937755 0.84 FGFR1 (0.44) PLAUMTNR1BMTNR1ARXFP1KDR
SCHEMBL7940489 0.83 MTNR1A (0.48) PLAUMTNR1BMTNR1AKDRMEN1
SCHEMBL7937164 0.82 MTNR1B (0.47) PLAUMTNR1BKDRMEN1KMT2A
SCHEMBL8501413 0.81 AKR1C3 (0.42) MTNR1BMTNR1AAKR1C3AKR1C2ESR1
SCHEMBL7187740 0.80 FFAR1 (0.50) AKR1C3AKR1C2ESR1
SCHEMBL7935128 0.79 MTNR1B (0.49) PLAUMTNR1BMTNR1APOLBPLG
SCHEMBL7928746 0.79 DHFR (0.41) ESR1ESR2MEN1KMT2A
SCHEMBL7928830 0.79 PLAU (0.47) PLAUMTNR1BMTNR1AKDRPLG

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