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SCHEMBL30693172

SCHEMBL30693172

CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.51
▸ RORC P51449 1/20 0.48
▸ MAPT P10636 1/20 0.46
▸ STS P08842 1/20 0.46
▸ EPHX2 P34913 6/20 0.45
▸ CXCR3 P49682 2/20 0.44
▸ P2RY14 Q15391 1/20 0.44
▸ FPR2 P25090 3/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ FPR1 P21462 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.42

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
SCHEMBL1968682 1.00 TACR1 (0.51) TACR1RORCMAPTSTSEPHX2
SCHEMBL1968672 0.95 TACR1 (0.49) TACR1RORCMAPTSTSCXCR3
SCHEMBL1969544 0.95 TACR1 (0.49) TACR1RORCMAPTSTSCXCR3
SCHEMBL30693218 0.95 TACR1 (0.49) TACR1RORCMAPTSTSCXCR3
SCHEMBL30693171 0.95 TACR1 (0.49) TACR1RORCMAPTSTSCXCR3
SCHEMBL1973928 0.95 TACR1 (0.49) TACR1RORCMAPTSTSEPHX2
SCHEMBL30693214 0.94 TACR1 (0.49) TACR1RORCSTSCXCR3FPR2
SCHEMBL1969849 0.94 TACR1 (0.49) TACR1RORCSTSCXCR3FPR2
SCHEMBL1974192 0.94 TACR1 (0.59) TACR1RORCSTSEPHX2CXCR3
SCHEMBL1970583 0.89 TACR1 (0.44) TACR1RORCSTSEPHX2CXCR3

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