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SCHEMBL30693186

SCHEMBL30693186

CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)[C@H](c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 9/20 0.46
▸ TACR2 P21452 6/20 0.46
▸ TACR3 P29371 3/20 0.46
▸ TAC3 Q9UHF0 1/20 0.44
▸ STS P08842 2/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ P2RY14 Q15391 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL1972982 1.00 TACR1 (0.46) TACR1TACR2TACR3TAC3STS
SCHEMBL30693175 0.91 TACR1 (0.53) TACR1TACR2TACR3TAC3STS
SCHEMBL1973933 0.91 TACR1 (0.53) TACR1TACR2TACR3TAC3STS
SCHEMBL15397633 0.88 TACR1 (0.48) TACR1TACR2TACR3TAC3
SCHEMBL13801311 0.86 TACR1 (0.49) TACR1TACR2TACR3TAC3STS
SCHEMBL13801316 0.86 TACR1 (0.49) TACR1TACR2TACR3TAC3STS
SCHEMBL4150434 0.86 TACR1 (0.49) TACR1TACR2TACR3TAC3STS
SCHEMBL13801240 0.86 TACR1 (0.49) TACR1TACR2TACR3TAC3STS
SCHEMBL1970339 0.86 TACR1 (0.53) TACR1TACR2TACR3TAC3
SCHEMBL30693211 0.86 TACR1 (0.53) 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 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