SCHEMBL8674133

SCHEMBL8674133

CN(C(=O)[C@H](N)CS)C1N=C(c2ccccc2)c2ccccc2N(C[C]=O)C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.48
CCKAR P32238 2/20 0.48
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
KCNH2 Q12809 1/20 0.42
HDAC3 O15379 6/20 0.41
HDAC1 Q13547 6/20 0.41
HDAC6 Q9UBN7 6/20 0.41
HDAC8 Q9BY41 3/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40

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
SCHEMBL8667954 1.00 CCKBR (0.48) CCKBRCCKARFNTAFNTBKCNH2
SCHEMBL8669315 0.93 CCKBR (0.48) CCKBRCCKARFNTAFNTBKCNH2
SCHEMBL8676596 0.92 CCKBR (0.48) CCKBRCCKARFNTAFNTBKCNH2
SCHEMBL8669230 0.90 HTR2B (0.45) CCKBRCCKARFNTAFNTBKCNH2
SCHEMBL8674155 0.87 CCKBR (0.47) CCKBRCCKARHDAC3HDAC1HDAC6
SCHEMBL8670033 0.87 CCKBR (0.47) CCKBRCCKARFNTAFNTBKCNH2
SCHEMBL8676603 0.86 CCKBR (0.48) CCKBRCCKARFNTAFNTBKCNH2
SCHEMBL8800936 0.86 CCKBR (0.44) CCKBRCCKARFNTAFNTBKCNH2
SCHEMBL8800222 0.85 FNTA (0.46) CCKBRCCKARFNTAFNTBKCNH2
SCHEMBL8674533 0.85 CCKBR (0.49) CCKBRCCKARKCNH2HDAC3HDAC1

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
US-5843941-A Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1998-12-01 US disclosed