SCHEMBL629790

SCHEMBL629790

COC(=O)c1ccc(CN(C)CC(C)(C)C2CCCCC2)cc1-c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
TACR1 P25103 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL629820 0.89 FNTA (0.42) FNTAFNTBTACR1
SCHEMBL628869 0.82 FNTA (0.57) FNTAFNTB
SCHEMBL628818 0.80 FNTA (0.67) FNTAFNTB
SCHEMBL628817 0.80 FNTA (0.67) FNTAFNTB
SCHEMBL630166 0.79 FNTA (0.49) FNTAFNTB
SCHEMBL628801 0.76 L3MBTL1 (0.41) ALDH1A1TSHRMEN1LMNAKMT2A
SCHEMBL628800 0.75 FNTA (0.37) FNTAFNTBTACR1MEN1LMNA
SCHEMBL10192961 0.75 FNTA (0.67) FNTAFNTB
Decarboxylated Derivative SCHEMBL628807 0.74 FNTA (0.41) FNTAFNTB
SCHEMBL7862459 0.74 FNTA (0.48) FNTAFNTB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed