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SCHEMBL30693175

SCHEMBL30693175

CN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 14/20 0.53
▸ TACR2 P21452 11/20 0.53
▸ TACR3 P29371 5/20 0.53
▸ TAC3 Q9UHF0 1/20 0.46
▸ STS P08842 1/20 0.41
▸ USP30 Q70CQ3 2/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ RORC P51449 1/20 0.37

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
SCHEMBL1973933 1.00 TACR1 (0.53) TACR1TACR2TACR3TAC3STS
SCHEMBL30693186 0.91 TACR1 (0.46) TACR1TACR2TACR3TAC3STS
SCHEMBL1972982 0.91 TACR1 (0.46) TACR1TACR2TACR3TAC3STS
SCHEMBL1973535 0.89 TACR1 (0.51) TACR1TACR2TACR3STS
SCHEMBL30693170 0.89 TACR1 (0.51) TACR1TACR2TACR3STS
SCHEMBL15397479 0.89 TACR1 (0.56) TACR1TACR2TACR3TAC3
SCHEMBL1970339 0.88 TACR1 (0.53) TACR1TACR2TACR3TAC3
SCHEMBL30693211 0.88 TACR1 (0.53) TACR1TACR2TACR3TAC3
SCHEMBL13801311 0.86 TACR1 (0.49) TACR1TACR2TACR3TAC3STS
SCHEMBL4150434 0.86 TACR1 (0.49) TACR1TACR2TACR3TAC3STS

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