SCHEMBL6798897

SCHEMBL6798897

CC#CCn1c(N2CCN(C(=O)O)CC2)nc(/C=C/C(=O)O)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
DPP4 P27487 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6798899 1.00 POLB (0.35) POLBDPP4MEN1KMT2ANPSR1
SCHEMBL2964445 0.77 KCNH2 (0.43) MEN1KMT2A
SCHEMBL13217919 0.75 KCNH2 (0.52) POLB
SCHEMBL2957115 0.75 KCNH2 (0.42) DPP4MEN1KMT2A
SCHEMBL13199958 0.72 KDM4E (0.38) POLBMEN1KMT2A
SCHEMBL6411251 0.67 DPP4 (0.39) DPP4
SCHEMBL6386721 0.66 DPP4 (0.47) DPP4
SCHEMBL6411044 0.65 DPP4 (0.49) DPP4
SCHEMBL6417266 0.65 DPP4 (0.40) DPP4
SCHEMBL6383619 0.65 DPP4 (0.47) DPP4

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-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 US disclosed