SCHEMBL8201159

SCHEMBL8201159

Fc1ccc([C@H]2COC3(COC[C@](F)(c4ccccc4)C3)N2)cc1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.35

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
SCHEMBL8201993 0.85 TACR1 (0.34) TACR1
SCHEMBL30492812 0.76 TSHR (0.36) TACR1
SCHEMBL8502899 0.76 TACR1 (0.54) TACR1
SCHEMBL8202470 0.73 TACR1 (0.38) TACR1
SCHEMBL8201838 0.73 SIGMAR1 (0.39) TACR1
SCHEMBL8202750 0.73 SLC6A9 (0.32) TACR1
SCHEMBL8201944 0.73 TACR1 (0.38) TACR1
SCHEMBL8201272 0.71 TACR1 (0.36) TACR1
SCHEMBL8201255 0.71 TACR1 (0.32) TACR1
SCHEMBL8504925 0.70 TACR1 (0.35) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080740-A Spiro-ketal derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2000-06-27 US claimed
US-6080740-A Spiro-ketal derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2000-06-27 US disclosed
EP-0880529-A1 SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1998-12-02 EP disclosed
WO-1997030056-A1 SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-08-21 WO disclosed