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Sugi Predict / Compounds / SCHEMBL30693205

SCHEMBL30693205

SCHEMBL30693205

CCOC(=O)N[C@H]1CC[C@H](NC(=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 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.76
▸ TACR2 P21452 11/20 0.76
▸ TACR3 P29371 11/20 0.76

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
SCHEMBL30693213 0.92 TACR1 (0.86) TACR1TACR2TACR3
SCHEMBL30693131 0.92 TACR1 (0.85) TACR1TACR2TACR3
SCHEMBL2214416 0.92 TACR1 (0.85) TACR1TACR2TACR3
SCHEMBL1973247 0.92 TACR1 (0.89) TACR1TACR2TACR3
SCHEMBL15397515 0.90 TACR1 (0.83) TACR1TACR2TACR3
SCHEMBL15397514 0.90 TACR1 (0.83) TACR1TACR2TACR3
SCHEMBL1973681 0.89 TACR1 (0.86) TACR1TACR2TACR3
SCHEMBL15397488 0.88 TACR1 (0.77) TACR1TACR2TACR3
SCHEMBL15397489 0.88 TACR1 (0.77) TACR1TACR2TACR3
SCHEMBL1970251 0.87 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
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 — — US disclosed