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Sugi Predict / Compounds / SCHEMBL15463528

SCHEMBL15463528

SCHEMBL15463528

CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(Cl)cc3)C2)CC1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.86
▸ TACR2 P21452 16/20 0.86
▸ TACR3 P29371 7/20 0.85
▸ TAC3 Q9UHF0 3/20 0.66

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
SCHEMBL30693210 1.00 TACR1 (0.86) TACR1TACR2TACR3TAC3
SCHEMBL15463527 1.00 TACR1 (0.86) TACR1TACR2TACR3TAC3
SCHEMBL15397640 0.94 TACR1 (0.90) TACR1TACR2TACR3TAC3
SCHEMBL15397639 0.94 TACR1 (0.90) TACR1TACR2TACR3TAC3
SCHEMBL15463502 0.92 TACR1 (0.87) TACR1TACR2TACR3TAC3
SCHEMBL1969948 0.92 TACR1 (1.00) TACR1TACR2TACR3TAC3
SCHEMBL15397480 0.92 TACR1 (1.00) TACR1TACR2TACR3TAC3
SCHEMBL15463503 0.92 TACR1 (0.87) TACR1TACR2TACR3TAC3
SCHEMBL15397481 0.92 TACR1 (1.00) TACR1TACR2TACR3TAC3
SCHEMBL30693135 0.92 TACR1 (0.87) TACR1TACR2TACR3TAC3

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
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