SCHEMBL7477174

SCHEMBL7477174

O=C(O)[C@@H]1CCOC(OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 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
SCHEMBL7477172 1.00 TACR1 (0.60) TACR1
SCHEMBL7477861 0.87 TACR1 (0.49) TACR1
SCHEMBL7477863 0.87 TACR1 (0.49) TACR1
SCHEMBL7478602 0.85 TACR1 (0.58) TACR1
SCHEMBL7475694 0.85 TACR1 (0.58) TACR1
SCHEMBL7483336 0.85 TACR1 (0.58) TACR1
SCHEMBL7473456 0.85 TACR1 (0.58) TACR1
SCHEMBL7473292 0.85 TACR1 (0.56) TACR1
SCHEMBL7473285 0.85 TACR1 (0.56) TACR1
SCHEMBL7181839 0.85 TACR1 (0.81) 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