Sugi Predict

Sugi Predict / Compounds / SCHEMBL5117793

SCHEMBL5117793

SCHEMBL5117793

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

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.69
▸ KCNH2 Q12809 1/20 0.60

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
SCHEMBL3174650 1.00 TACR1 (0.69) TACR1KCNH2
SCHEMBL7202912 0.93 TACR1 (0.73) TACR1KCNH2
SCHEMBL1276555 0.93 TACR1 (0.73) TACR1KCNH2
SCHEMBL7202907 0.93 TACR1 (0.73) TACR1KCNH2
SCHEMBL13677494 0.93 TACR1 (0.73) TACR1KCNH2
SCHEMBL13677467 0.93 TACR1 (0.73) TACR1KCNH2
SCHEMBL3475908 0.90 TACR1 (0.61) TACR1KCNH2
SCHEMBL5183141 0.87 TACR1 (0.66) TACR1KCNH2
SCHEMBL4461906 0.87 TACR1 (0.66) TACR1KCNH2
SCHEMBL5024860 0.87 TACR1 (0.66) TACR1KCNH2

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