SCHEMBL5024862

SCHEMBL5024862

O=C[C@H]1CC[C@H](OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)[C@@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.48

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
SCHEMBL7178193 0.89 TACR1 (0.44) TACR1
SCHEMBL7178198 0.89 TACR1 (0.44) TACR1
SCHEMBL5024860 0.80 TACR1 (0.66) TACR1
SCHEMBL4461906 0.80 TACR1 (0.66) TACR1
SCHEMBL8322683 0.79 TACR1 (0.64) TACR1
SCHEMBL8322682 0.79 TACR1 (0.64) TACR1
SCHEMBL7180360 0.77 TACR1 (0.65) TACR1
SCHEMBL7180363 0.77 TACR1 (0.65) TACR1
SCHEMBL7181548 0.77 TACR1 (0.53) TACR1
SCHEMBL7181141 0.77 TACR1 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898905-A2 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-03-19 EP disclosed
WO-2007002457-A2 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 WO disclosed