SCHEMBL10193309

SCHEMBL10193309

CCCCN(CC1CCCCC1)C(=O)Cc1ccc(C=O)c(-c2ccccc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
LTB4R2 Q9NPC1 2/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
BCHE P06276 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BACE1 P56817 2/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 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
SCHEMBL629755 0.85 FNTA (0.47) FNTAFNTBLTB4R2
SCHEMBL6623575 0.76 FNTA (0.74) FNTAFNTB
SCHEMBL6623577 0.76 FNTA (0.74) FNTAFNTB
SCHEMBL7870342 0.76 FNTA (0.73) FNTAFNTB
SCHEMBL7870340 0.76 FNTA (0.73) FNTAFNTB
SCHEMBL7862383 0.75 FNTA (0.64) FNTAFNTB
SCHEMBL7870255 0.70 FNTA (0.43) FNTAFNTB
SCHEMBL7867467 0.70 LTB4R2 (0.44) FNTAFNTBLTB4R2
SCHEMBL629651 0.69 FNTA (0.51) FNTAFNTBOPRM1OPRD1BCHE
SCHEMBL629682 0.67 FNTA (0.69) FNTAFNTBLTB4R2BCHE

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 1 patent. 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