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SCHEMBL30693182

SCHEMBL30693182

CN(C(=O)N(C)[C@@H]1CN(C(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 19/20 0.87
▸ TACR3 P29371 12/20 0.87
▸ TACR2 P21452 11/20 0.87
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL30693233 1.00 TACR1 (0.87) TACR1TACR3TACR2CYP3A4CYP2D6
SCHEMBL30693206 0.94 TACR1 (0.76) TACR1TACR3TACR2
SCHEMBL30693236 0.93 TACR1 (1.00) TACR1TACR3TACR2
SCHEMBL1968581 0.91 TACR1 (0.86) TACR1TACR3TACR2CYP3A4CYP2D6
SCHEMBL1968578 0.91 TACR1 (0.86) TACR1TACR3TACR2CYP3A4CYP2D6
SCHEMBL30693213 0.90 TACR1 (0.86) TACR1TACR3TACR2
SCHEMBL1969605 0.90 TACR1 (0.83) TACR1TACR3TACR2CYP3A4CYP2D6
SCHEMBL1969603 0.90 TACR1 (0.83) TACR1TACR3TACR2CYP3A4CYP2D6
SCHEMBL1969247 0.90 TACR1 (0.85) TACR1TACR3TACR2CYP3A4CYP2D6
SCHEMBL1972966 0.90 TACR1 (0.85) TACR1TACR3TACR2CYP3A4CYP2D6

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