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Sugi Predict / Compounds / SCHEMBL1970253

SCHEMBL1970253

SCHEMBL1970253

CN(C(=O)N(C)[C@@H]1CN(C(=O)NC2CCC(N(C)C(=O)O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.81
▸ TACR2 P21452 11/20 0.81
▸ TACR3 P29371 11/20 0.81

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
SCHEMBL1970251 1.00 TACR1 (0.81) TACR1TACR2TACR3
SCHEMBL1973247 0.95 TACR1 (0.89) TACR1TACR2TACR3
SCHEMBL15397515 0.93 TACR1 (0.83) TACR1TACR2TACR3
SCHEMBL15397514 0.93 TACR1 (0.83) TACR1TACR2TACR3
SCHEMBL1973697 0.92 TACR1 (0.76) TACR1TACR2TACR3
SCHEMBL1973696 0.92 TACR1 (0.76) TACR1TACR2TACR3
SCHEMBL1973681 0.92 TACR1 (0.86) TACR1TACR2TACR3
SCHEMBL1973968 0.91 TACR1 (0.75) TACR1TACR2TACR3
SCHEMBL1973969 0.91 TACR1 (0.75) TACR1TACR2TACR3
Hydrochloric Acid SCHEMBL1972739 0.90 TACR1 (0.81) 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
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 — — EP disclosed