SCHEMBL8802185

SCHEMBL8802185

COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)C(N)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.59
FNTB P49356 1/20 0.59
OXTR P30559 8/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46

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
SCHEMBL29450579 0.83 FNTA (0.74) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL15221506 0.83 FNTA (0.56) FNTAFNTBOXTRCCKARCCKBR
SCHEMBL8801155 0.83 FNTA (0.51) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801152 0.83 FNTA (0.56) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801159 0.80 FNTA (0.60) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL7318234 0.79 GABRP (0.59) HDAC3HDAC1HDAC8HDAC6GABRP
SCHEMBL8801922 0.79 FNTA (0.58) FNTAFNTBHDAC3HDAC1HDAC8
SCHEMBL8801920 0.78 FNTA (0.51) FNTAFNTBOXTRCCKARCCKBR
SCHEMBL9867450 0.77 CCKBR (0.62) OXTRHDAC3HDAC1HDAC8HDAC6
SCHEMBL9867466 0.77 CCKBR (0.62) OXTRHDAC3HDAC1HDAC8HDAC6

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-0763537-A2 Non-peptidyl Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1997-03-19 EP disclosed
US-5532359-A FUNGICIDES GENENTECH, INC. (US) 1996-07-02 US disclosed
EP-0698015-A1 PREPARATION OF N-CYANODITHIOIMINO-CARBONATES AND 3-MERCAPTO-5-AMINO-1H-1,2,4-TRIAZOLE GENENTECH, INC. (US) 1996-02-28 EP disclosed
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO disclosed