SCHEMBL2048034

SCHEMBL2048034

CC(O[C@H]1CN(C(=O)C(N)CO)C[C@@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.74

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
SCHEMBL1276549 1.00 TACR1 (0.74) TACR1
SCHEMBL5011850 0.86 TACR1 (0.86) TACR1
SCHEMBL1276747 0.85 TACR1 (1.00) TACR1
SCHEMBL5007953 0.85 TACR1 (1.00) TACR1
SCHEMBL5199550 0.80 TACR1 (0.69) TACR1
SCHEMBL5199801 0.80 TACR1 (0.74) TACR1
SCHEMBL5199806 0.80 TACR1 (0.74) TACR1
SCHEMBL5198063 0.80 TACR1 (0.74) TACR1
SCHEMBL5198495 0.79 TACR1 (0.71) TACR1
SCHEMBL5198723 0.79 TACR1 (0.71) TACR1

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-1937264-B1 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK SHARP & DOHME (US) 2011-06-08 EP claimed