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Sugi Predict / Compounds / SCHEMBL1968570

SCHEMBL1968570

SCHEMBL1968570

CCC(=O)N[C@H]1CC[C@H](C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)CC1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 18/20 0.83
▸ TACR3 P29371 13/20 0.83
▸ TACR2 P21452 11/20 0.83

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
SCHEMBL1968572 1.00 TACR1 (0.83) TACR1TACR3TACR2
SCHEMBL1969533 0.94 TACR1 (0.81) TACR1TACR3TACR2
SCHEMBL1969532 0.94 TACR1 (0.81) TACR1TACR3TACR2
SCHEMBL1968581 0.93 TACR1 (0.86) TACR1TACR3TACR2
SCHEMBL1968578 0.93 TACR1 (0.86) TACR1TACR3TACR2
SCHEMBL1971706 0.92 TACR1 (0.83) TACR1TACR3TACR2
SCHEMBL1971704 0.92 TACR1 (0.83) TACR1TACR3TACR2
SCHEMBL1972966 0.92 TACR1 (0.85) TACR1TACR3TACR2
SCHEMBL15397600 0.92 TACR1 (0.85) TACR1TACR3TACR2
SCHEMBL1969247 0.92 TACR1 (0.85) TACR1TACR3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336105-B9 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
EP-2336105-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-02-12 — — EP disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 — — EP disclosed