SCHEMBL6178568

SCHEMBL6178568

O=C(NCCc1cncn1CCc1ccccc1)[C@H]1CNCCN1C(=O)NC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
EPHX1 P07099 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
FKBP1A P62942 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 1/20 0.39
MC4R P32245 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7682332 0.85 FNTA (0.47) FNTAFNTBNPC1RAB9ASMN1; SMN2
SCHEMBL6178566 0.84 FNTA (0.42) FNTAFNTBRAB9ATSHRFKBP1A
SCHEMBL6179814 0.84 FNTA (0.46) FNTAFNTB
SCHEMBL7682279 0.76 FNTA (0.49) FNTAFNTBPOLBMC4R
SCHEMBL6180669 0.72 FNTA (0.46) FNTAFNTB
SCHEMBL6767304 0.72 GAA (0.55) FNTAFNTBNPC1SMN1; SMN2TSHR
SCHEMBL7679202 0.71 FNTA (0.48) FNTAFNTBEPHX2ALDH1A1
SCHEMBL8307165 0.65 SIGMAR1 (0.53) FNTAFNTBTSHRALDH1A1KMT2A
SCHEMBL8095935 0.65 FNTA (0.55) FNTAFNTB
SCHEMBL8095939 0.65 FNTA (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140909-B1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2005-07-06 EP disclosed
US-6432959-B1 ANTITUMOR AGENTS SCHERING CORPORATION 2002-08-13 US disclosed
EP-1140909-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000039119-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-07-06 WO disclosed