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SCHEMBL30693144

SCHEMBL30693144

COC(=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)c(F)c3)C2)CC1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 16/20 0.85
▸ TACR3 P29371 14/20 0.85
▸ TACR2 P21452 13/20 0.85
▸ TAC3 Q9UHF0 1/20 0.41

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
SCHEMBL15397521 0.92 TACR1 (0.73) TACR1TACR3TACR2TAC3
SCHEMBL15397522 0.92 TACR1 (0.73) TACR1TACR3TACR2TAC3
SCHEMBL30693236 0.92 TACR1 (1.00) TACR1TACR3TACR2TAC3
SCHEMBL30693222 0.89 TACR1 (0.90) TACR1TACR3TACR2
SCHEMBL30693183 0.88 TACR1 (0.91) TACR1TACR3TACR2
SCHEMBL30693136 0.88 TACR1 (0.83) TACR1TACR3TACR2
SCHEMBL30693199 0.87 TACR1 (0.90) TACR1TACR3TACR2
SCHEMBL1971331 0.86 TACR1 (0.66) TACR1TACR3TACR2TAC3
SCHEMBL1971328 0.86 TACR1 (0.66) TACR1TACR3TACR2TAC3
SCHEMBL30693165 0.86 TACR1 (0.88) 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 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