SCHEMBL7480425

SCHEMBL7480425

OCC1CCO[C@H](OCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.47
SLC6A4 P31645 1/20 0.38

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
SCHEMBL7485968 1.00 TACR1 (0.47) TACR1SLC6A4
SCHEMBL7475694 0.91 TACR1 (0.58) TACR1
SCHEMBL7483336 0.91 TACR1 (0.58) TACR1
SCHEMBL7478602 0.91 TACR1 (0.58) TACR1
SCHEMBL7473456 0.91 TACR1 (0.58) TACR1
SCHEMBL7481091 0.84 TACR1 (0.37) TACR1SLC6A4
SCHEMBL7180360 0.84 TACR1 (0.65) TACR1
SCHEMBL7180363 0.84 TACR1 (0.65) TACR1
SCHEMBL6615413 0.83 TACR1 (0.39) TACR1SLC6A4
SCHEMBL6616383 0.83 TACR1 (0.40) TACR1SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002540107-A 2002-11-26 JP claimed
EP-1165540-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2002-01-02 EP claimed
WO-2000056727-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2000-09-28 WO claimed