SCHEMBL8675655

SCHEMBL8675655

CCN(CC)C(C#N)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
BCHE P06276 1/20 0.51
ALOX5 P09917 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
FFAR1 O14842 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
AR P10275 2/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
MAOA P21397 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL11452486 0.78 MAOB (0.60) MAOBBCHEALOX5L3MBTL1FFAR1
SCHEMBL956766 0.78 MAOB (0.60) MAOBBCHEALOX5L3MBTL1FFAR1
SCHEMBL17465915 0.77 MAOB (0.64) MAOBBCHEALOX5L3MBTL1FFAR1
SCHEMBL6318730 0.77 ALDH1A1 (0.46) LMNACYP1A2CYP2C19GAASMN1; SMN2
SCHEMBL6318735 0.77 ALDH1A1 (0.46) LMNACYP1A2CYP2C19GAASMN1; SMN2
Hydrochloric Acid SCHEMBL15775837 0.77 MAOB (0.58) MAOBBCHEALOX5L3MBTL1FFAR1
SCHEMBL19586128 0.74 MAOB (0.55) MAOBBCHEALOX5L3MBTL1FFAR1
SCHEMBL5326278 0.74 CCR1 (0.53) MAOBBCHEALOX5FFAR1LMNA
SCHEMBL7766511 0.73 MAOB (0.56) MAOBALOX5L3MBTL1LMNACYP1A2
SCHEMBL4450105 0.73 ALOX5 (0.56) MAOBBCHEALOX5L3MBTL1MAPT

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