SCHEMBL30693203

SCHEMBL30693203

CN(C(=O)C(F)(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.52
TACR2 P21452 18/20 0.52
TAC3 Q9UHF0 6/20 0.52
TACR3 P29371 4/20 0.51

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
SCHEMBL1968592 1.00 TACR1 (0.52) TACR1TACR2TAC3TACR3
SCHEMBL15463536 0.87 TACR1 (0.56) TACR1TACR2TAC3TACR3
SCHEMBL4002700 0.87 TACR1 (0.56) TACR1TACR2TAC3TACR3
SCHEMBL4150577 0.87 TACR1 (0.56) TACR1TACR2TAC3TACR3
SCHEMBL30693185 0.82 TACR1 (0.57) TACR1TACR2TAC3TACR3
SCHEMBL1972571 0.82 TACR1 (0.57) TACR1TACR2TAC3TACR3
SCHEMBL4157210 0.82 TACR1 (0.75) TACR1TACR2TAC3TACR3
SCHEMBL4157211 0.82 TACR1 (0.75) TACR1TACR2TAC3TACR3
SCHEMBL30693177 0.81 TACR1 (0.56) TACR1TACR2TAC3TACR3
SCHEMBL2218821 0.81 TACR1 (0.56) TACR1TACR2TAC3TACR3

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-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed