SCHEMBL7477017

SCHEMBL7477017

C=C[C@@H]1CCO[C@H](OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.39
SLC6A4 P31645 1/20 0.36

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
SCHEMBL7476271 1.00 TACR1 (0.39) TACR1SLC6A4
SCHEMBL6615413 1.00 TACR1 (0.39) TACR1SLC6A4
SCHEMBL7488586 0.91 TACR1 (0.49) TACR1
SCHEMBL7481018 0.91 TACR1 (0.49) TACR1
SCHEMBL7473930 0.91 TACR1 (0.49) TACR1
SCHEMBL7484322 0.91 TACR1 (0.49) TACR1
SCHEMBL7475301 0.91 TACR1 (0.49) TACR1
SCHEMBL7475296 0.91 TACR1 (0.49) TACR1
SCHEMBL7699507 0.90 TACR1 (0.38) TACR1
SCHEMBL7547907 0.90 TACR1 (0.38) 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-1165540-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2002-01-02 EP disclosed
WO-2000056727-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2000-09-28 WO disclosed