Sugi Predict

Sugi Predict / Compounds / SCHEMBL8948044

SCHEMBL8948044

SCHEMBL8948044

CC(C)Oc1cccc(NC(=O)N(C)Cc2c(-c3ccccc3)c3cc(Cl)ccc3c(=O)n2C)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 8/20 0.51
▸ KCNA5 P22460 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ TACR1 P25103 10/20 0.46
▸ CNR1 P21554 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
SCHEMBL8458434 0.86 DPP4 (0.52) DPP4TACR1CNR1
SCHEMBL8947928 0.86 DPP4 (0.52) DPP4KCNA5KCNH2TACR1CNR1
SCHEMBL8948009 0.84 DPP4 (0.52) DPP4KCNA5KCNH2TACR1
SCHEMBL8948056 0.82 DPP4 (0.51) DPP4KCNA5KCNH2TACR1
SCHEMBL8947932 0.79 DPP4 (0.54) DPP4KCNA5KCNH2TACR1
SCHEMBL8947976 0.77 DPP4 (0.52) DPP4KCNA5KCNH2TACR1
SCHEMBL9233934 0.77 DPP4 (0.49) DPP4KCNA5KCNH2TACR1
SCHEMBL8948059 0.77 DPP4 (0.49) DPP4KCNA5KCNH2TACR1
SCHEMBL8947969 0.76 DPP4 (0.52) DPP4KCNA5KCNH2TACR1
SCHEMBL8947981 0.76 DPP4 (0.49) DPP4KCNA5KCNH2TACR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5527811-A CALCIUM- AND SUBSTANCE P RECEPTOR-ANTAGONIST ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-18 — — US disclosed
EP-0634402-A1 Isochinolinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1995-01-18 — — EP disclosed