SCHEMBL7682332

SCHEMBL7682332

O=C(NCCc1cncn1CCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCN1C(=O)NC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
MC4R P32245 5/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.41
DPP7 Q9UHL4 1/20 0.40
FKBP1A P62942 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL7682279 0.91 FNTA (0.49) FNTAFNTBMC4RPOLB
SCHEMBL6178568 0.85 FNTA (0.42) FNTAFNTBMC4RNPC1RAB9A
SCHEMBL7679202 0.77 FNTA (0.48) FNTAFNTBEPHX2ALDH1A1
SCHEMBL6180669 0.76 FNTA (0.46) FNTAFNTB
SCHEMBL7679247 0.74 FNTA (0.50) FNTAFNTB
SCHEMBL6179814 0.72 FNTA (0.46) FNTAFNTB
SCHEMBL7681229 0.70 FNTA (0.48) FNTAFNTB
SCHEMBL8095374 0.69 FNTA (0.61) FNTAFNTB
SCHEMBL6178566 0.69 FNTA (0.42) FNTAFNTBRAB9ATSHRPOLB
SCHEMBL8088609 0.69 FNTA (0.61) 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
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