SCHEMBL8677103

SCHEMBL8677103

CC(=O)N([C@@H](Cc1ccccc1)C(=O)O)N1C(=O)C(NCC(=O)C(N)CS)N=C(c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 7/20 0.42
KCNH2 Q12809 1/20 0.42
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
LMNA P02545 1/20 0.39
OPRK1 P41145 1/20 0.39
PDE3A Q14432 1/20 0.39
NOTCH1 P46531 1/20 0.38
RBPJ Q06330 1/20 0.38
HTR2B P41595 1/20 0.38
PDE4D Q08499 1/20 0.38
OXTR P30559 3/20 0.37
CCKAR P32238 1/20 0.36

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
SCHEMBL8674221 0.91 CCKBR (0.51) CCKBRKCNH2OXTRCCKAR
SCHEMBL8677097 0.84 HTR2B (0.41) CCKBRKCNH2BRD4BRD2BRD3
SCHEMBL8801524 0.81 OXTR (0.48) CCKBROXTR
SCHEMBL8672564 0.79 HTR2B (0.40) CCKBRKCNH2BRD4BRD2BRD3
SCHEMBL8674482 0.79 LMNA (0.44) CCKBRKCNH2BRD4BRD2BRD3
SCHEMBL8670555 0.79 LMNA (0.44) CCKBRKCNH2BRD4BRD2BRD3
SCHEMBL8676259 0.77 CCKBR (0.43) CCKBRKCNH2BRD4BRD2BRD3
SCHEMBL8674323 0.77 LMNA (0.42) CCKBRKCNH2BRD4BRD2BRD3
SCHEMBL8667949 0.76 NOTCH1 (0.42) CCKBRKCNH2BRD4BRD2BRD3
SCHEMBL8674054 0.76 PDE3A (0.41) CCKBRKCNH2BRD4BRD2BRD3

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