SCHEMBL13601031

SCHEMBL13601031

Cc1cc(CN(CO)CC(=O)O)nc(CN(CCCCCCN)Cc2cc(C)cc(CN(CO)CC(=O)O)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.34
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MC4R P32245 2/20 0.31
MC5R P33032 2/20 0.31
MC3R P41968 2/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL862339 0.96 CXCR4 (0.35) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL862393 0.87 BCHE (0.35) CHRM2NOS3NOS1NOS2PPARG
SCHEMBL11303647 0.81 TDP1 (0.38) CHRM2NOS3NOS1NOS2
SCHEMBL11306734 0.79 TDP1 (0.37) CHRM2NOS2PPARGPPARA
SCHEMBL13214435 0.78 PPARG (0.34) PPARGPPARA
SCHEMBL862379 0.76 LMNA (0.36)
SCHEMBL14338908 0.75 GRK6 (0.36) PPARGMC4RMC5RMC3R
SCHEMBL18674468 0.73 PPARG (0.46) NOS3NOS1NOS2PPARGPPARA
SCHEMBL18677892 0.72 EPOR (0.33)
SCHEMBL14350965 0.71 PPARA (0.35) PPARGPPARA

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-7625930-B2 Chelating agents and highly luminescent and stable chelates and their use WALLOC OY (FI) 2009-12-01 US disclosed