SCHEMBL5423205

SCHEMBL5423205

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

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.72
KCNH2 Q12809 1/20 0.62
NR1I2 O75469 1/20 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
SCHEMBL7517041 1.00 TACR1 (0.72) TACR1KCNH2NR1I2
SCHEMBL4322702 1.00 TACR1 (0.72) TACR1KCNH2NR1I2
SCHEMBL7517045 1.00 TACR1 (0.72) TACR1KCNH2NR1I2
SCHEMBL1276555 0.91 TACR1 (0.73) TACR1KCNH2NR1I2
SCHEMBL13677460 0.91 TACR1 (0.70) TACR1KCNH2NR1I2
SCHEMBL13677490 0.91 TACR1 (0.70) TACR1KCNH2NR1I2
SCHEMBL7202912 0.91 TACR1 (0.73) TACR1KCNH2NR1I2
SCHEMBL13677467 0.91 TACR1 (0.73) TACR1KCNH2NR1I2
SCHEMBL13677491 0.91 TACR1 (0.70) TACR1KCNH2NR1I2
SCHEMBL13677494 0.91 TACR1 (0.73) TACR1KCNH2NR1I2

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-2007146224-A2 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK & CO., INC. (US) 2007-12-21 WO disclosed