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SCHEMBL5327808

SCHEMBL5327808

CC(O[C@H]1CN2C(=O)CC(NC(C)(C)C(N)=O)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.66
▸ NR1I2 O75469 1/20 0.64

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
SCHEMBL4453430 1.00 TACR1 (0.66) TACR1NR1I2
SCHEMBL4453429 0.87 TACR1 (0.66) TACR1NR1I2
SCHEMBL13631141 0.87 TACR1 (0.66) TACR1NR1I2
SCHEMBL4469391 0.87 TACR1 (0.70) TACR1NR1I2
SCHEMBL13631138 0.87 TACR1 (0.70) TACR1NR1I2
SCHEMBL4471427 0.87 TACR1 (0.70) TACR1NR1I2
SCHEMBL4458124 0.85 TACR1 (0.63) TACR1NR1I2
SCHEMBL4465655 0.85 TACR1 (0.72) TACR1NR1I2
SCHEMBL13631156 0.85 TACR1 (0.72) TACR1NR1I2
Hydrochloric Acid SCHEMBL4468838 0.85 TACR1 (0.69) TACR1NR1I2

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
WO-2007136570-A2 5,6-FUSED PYRROLIDINE COMPOUNDS USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-29 — — WO disclosed