SCHEMBL30693140

SCHEMBL30693140

CN(C(=O)N(C)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.72
TACR2 P21452 11/20 0.72
TACR3 P29371 11/20 0.63

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
SCHEMBL1971701 1.00 TACR1 (0.72) TACR1TACR2TACR3
SCHEMBL1972383 1.00 TACR1 (0.72) TACR1TACR2TACR3
SCHEMBL1969074 0.95 TACR1 (0.64) TACR1TACR2TACR3
SCHEMBL30693212 0.95 TACR1 (0.64) TACR1TACR2TACR3
SCHEMBL1974816 0.94 TACR1 (0.75) TACR1TACR2TACR3
SCHEMBL1971139 0.93 TACR1 (0.62) TACR1TACR2TACR3
SCHEMBL30693166 0.93 TACR1 (0.62) TACR1TACR2TACR3
SCHEMBL1971047 0.92 TACR1 (0.61) TACR1TACR2TACR3
SCHEMBL30693207 0.92 TACR1 (0.61) TACR1TACR2TACR3
SCHEMBL1974018 0.92 TACR1 (0.61) TACR1TACR2TACR3

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