SCHEMBL8680333

SCHEMBL8680333

COc1ccc(-c2ccc(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 1/20 0.51
MAPK1 P28482 2/20 0.50
NOD2 Q9HC29 1/20 0.50
CNR1 P21554 1/20 0.49
ENPP3 O14638 1/20 0.49
ENPP1 P22413 1/20 0.49
GSTP1 P09211 2/20 0.48
ACACA Q13085 1/20 0.47
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL8676667 0.99 NPSR1 (0.55) NPSR1MAPTALDH1A1LMNAHTT
SCHEMBL8676788 0.93 MAPT (0.50) NPSR1MAPTALDH1A1LMNAHTT
SCHEMBL10991494 0.88 KDM4E (0.58) NPSR1MAPTALDH1A1LMNAENPP3
SCHEMBL10976797 0.88 KDM4E (0.58) NPSR1MAPTALDH1A1LMNAENPP3
SCHEMBL8678444 0.86 NPSR1 (0.55) NPSR1MAPTALDH1A1LMNAHTT
SCHEMBL8680387 0.85 MAPT (0.56) NPSR1MAPTALDH1A1LMNAACACA
SCHEMBL8675465 0.80 MAPT (0.59) MAPTALDH1A1HTTMAPK1KDM4E
SCHEMBL8809238 0.78 LTA4H (0.58)
SCHEMBL178694 0.78 XDH (0.54) NPSR1MAPTALDH1A1LMNAHTT
SCHEMBL19091938 0.76 GSTP1 (0.63) GSTP1NPC1RAB9ASMN1; SMN2MEN1

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
US-5750708-A Pyridine compounds intermediates processes compositions and methods ELI LILLY AND COMPANY (US) 1998-05-12 US disclosed
US-5672609-A POSTMENOPAUSAL SYNDROME; ANTILIPEMIC AND -CARCINOGENIC AGENTS; OSTEOPOROSIS; CARDIOTONIC AGENTS; RESTENOSIS; SIDE EFFECT REDUCTION COMPARED TO ESTROGEN ELI LILLY AND COMPANY (US) 1997-09-30 US disclosed
WO-1997004778-A1 PYRIDINE COMPOUNDS, INTERMEDIATES, PROCESSES, COMPOSITIONS, AND METHODS ELI LILLY AND COMPANY (US) 1997-02-13 WO disclosed