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SCHEMBL5746274

SCHEMBL5746274

CONC(=O)N1CC[C@@H](C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 1.00
▸ CYP3A4 P08684 2/20 0.70
▸ CYP2D6 P10635 2/20 0.70
▸ CYP2C9 P11712 2/20 0.70

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
SCHEMBL4097961 1.00 TACR1 (1.00) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5746732 0.93 TACR1 (1.00) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5746738 0.93 TACR1 (1.00) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4087499 0.91 TACR1 (1.00) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4087497 0.91 TACR1 (1.00) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4100443 0.90 TACR1 (0.85) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4100441 0.90 TACR1 (0.85) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4096774 0.89 TACR1 (0.81) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4096777 0.89 TACR1 (0.81) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL24403434 0.89 TACR1 (1.00) TACR1CYP3A4CYP2D6CYP2C9

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
EP-1705176-A1 CARBOXAMIDE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-09-27 — — EP disclosed