SCHEMBL14547280

SCHEMBL14547280

NC(=O)N1C[C@H]2CC[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3)[C@@H]2C1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.58

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
SCHEMBL14346982 0.88 TACR1 (0.72) TACR1
SCHEMBL4987253 0.83 TACR1 (0.58) TACR1
SCHEMBL3177449 0.83 TACR1 (0.58) TACR1
SCHEMBL12646074 0.82 TACR1 (0.85) TACR1
SCHEMBL14547273 0.79 TACR1 (0.66) TACR1
SCHEMBL14547283 0.79 TACR1 (0.71) TACR1
SCHEMBL7202188 0.77 TACR1 (0.83) TACR1
SCHEMBL13677515 0.77 TACR1 (0.83) TACR1
SCHEMBL14346837 0.76 TACR1 (0.56) TACR1
SCHEMBL12646073 0.76 TACR1 (0.56) 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
WO-2007044296-A2 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK & CO., INC. (US) 2007-04-19 WO disclosed