SCHEMBL629651

SCHEMBL629651

CCCCN(CCc1ccc(C(=O)OC)c(-c2ccccc2C)c1)CC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
OPRM1 P35372 12/20 0.43
OPRK1 P41145 12/20 0.43
OPRD1 P41143 11/20 0.43
BCHE P06276 2/20 0.42
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL10192961 0.86 FNTA (0.67) FNTAFNTBBCHE
SCHEMBL629755 0.85 FNTA (0.47) FNTAFNTB
SCHEMBL7870255 0.85 FNTA (0.43) FNTAFNTB
SCHEMBL7871123 0.82 FNTA (0.69) FNTAFNTB
SCHEMBL7870322 0.81 FNTA (0.52) FNTAFNTBBCHE
SCHEMBL10193212 0.81 L3MBTL1 (0.47) FNTAFNTB
SCHEMBL7871098 0.81 FNTA (0.49) FNTAFNTBOPRM1OPRK1OPRD1
SCHEMBL6629277 0.80 FNTA (0.79) FNTAFNTB
SCHEMBL630144 0.80 FNTA (0.78) FNTAFNTB
SCHEMBL629652 0.80 FNTA (0.44) 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 3 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
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