SCHEMBL8835015

SCHEMBL8835015

Cc1cc(C)cc(C(CCc2c(-c3ccccc3)c3cc(C)c(C)cc3c(=O)n2C)OC(CCc2c(-c3ccccc3)c3cc(C)c(C)cc3c(=O)n2C)c2cc(C)cc(C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.50
DPP4 P27487 3/20 0.46
KCNA5 P22460 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL8786372 0.79 TACR1 (0.51) TACR1DPP4KCNA5KCNH2
SCHEMBL8785566 0.78 TACR1 (0.56) TACR1DPP4KCNA5KCNH2
SCHEMBL8947993 0.78 DPP4 (0.71) TACR1DPP4KCNA5KCNH2
SCHEMBL8785635 0.76 TACR1 (0.61) TACR1DPP4KCNA5KCNH2
SCHEMBL8948096 0.76 TACR1 (0.54) TACR1DPP4KCNA5KCNH2
SCHEMBL5236388 0.75 DPP4 (0.70) TACR1DPP4KCNA5KCNH2
SCHEMBL8785003 0.75 TACR1 (0.58) TACR1DPP4KCNA5KCNH2
SCHEMBL8835008 0.74 TACR1 (0.51) TACR1DPP4KCNA5KCNH2
SCHEMBL8785449 0.74 TACR1 (0.75) TACR1DPP4KCNA5KCNH2
SCHEMBL8947918 0.73 TACR1 (0.52) TACR1DPP4KCNA5KCNH2

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-5700810-A Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-23 US disclosed