SCHEMBL8674221

SCHEMBL8674221

CC(=O)N([C@@H](Cc1ccccc1)C(=O)O)N1C(=O)C(NCC(=O)C(N)CS)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.51
KCNH2 Q12809 1/20 0.51
SCN9A Q15858 4/20 0.41
CCKAR P32238 2/20 0.40
SENP1 Q9P0U3 1/20 0.38
OXTR P30559 2/20 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
SCHEMBL8677103 0.91 CCKBR (0.42) CCKBRKCNH2CCKAROXTR
SCHEMBL8674219 0.83 CCKBR (0.47) CCKBRKCNH2SCN9ACCKAR
SCHEMBL8668005 0.81 CCKBR (0.48) CCKBRKCNH2SCN9ASENP1OXTR
SCHEMBL8674499 0.79 CCKBR (0.46) CCKBRKCNH2CCKAR
SCHEMBL8667984 0.75 CCKBR (0.42) CCKBRKCNH2CCKAROXTR
SCHEMBL8801061 0.74 FNTA (0.46) CCKBRKCNH2CCKAROXTR
SCHEMBL8800232 0.74 OXTR (0.49) CCKBRKCNH2CCKAROXTR
SCHEMBL8800784 0.74 CCKBR (0.46) CCKBRKCNH2CCKARSENP1OXTR
SCHEMBL8672484 0.74 KCNH2 (0.43) CCKBRKCNH2CCKAROXTR
SCHEMBL8801839 0.73 CCKBR (0.50) CCKBRCCKAROXTR

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