SCHEMBL8668005

SCHEMBL8668005

CC(=O)N(Cc1ccccc1)C(C(=O)O)N1C(=O)C(NCC(=O)C(N)CS)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 8/20 0.48
KCNH2 Q12809 1/20 0.48
SCN9A Q15858 2/20 0.38
SENP1 Q9P0U3 1/20 0.38
OXTR P30559 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37

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
SCHEMBL8674499 0.91 CCKBR (0.46) CCKBRKCNH2FNTAFNTB
SCHEMBL8667984 0.85 CCKBR (0.42) CCKBRKCNH2OXTR
SCHEMBL8674221 0.81 CCKBR (0.51) CCKBRKCNH2SCN9ASENP1OXTR
SCHEMBL8800784 0.78 CCKBR (0.46) CCKBRKCNH2SENP1OXTR
SCHEMBL8800232 0.76 OXTR (0.49) CCKBRKCNH2OXTR
SCHEMBL8940402 0.76 FNTA (0.46) CCKBRKCNH2FNTAFNTB
SCHEMBL8674240 0.75 CCKBR (0.43) CCKBRKCNH2SCN9AFNTAFNTB
SCHEMBL8801839 0.74 CCKBR (0.50) CCKBROXTR
SCHEMBL8669120 0.74 CCKBR (0.44) CCKBRKCNH2
SCHEMBL8669411 0.73 CCKBR (0.43) CCKBRKCNH2SCN9AFNTAFNTB

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