SCHEMBL8720765

SCHEMBL8720765

COC1(c2ccccc2C)COCC2(CC(c3ccc(F)cc3)CO2)C1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 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
SCHEMBL8717928 0.86 TACR1 (0.40) TACR1
SCHEMBL8720600 0.76 TACR1 (0.37) TACR1
SCHEMBL8912656 0.66 TACR1 (0.46) TACR1
SCHEMBL8717852 0.66 TACR1 (0.46) TACR1
SCHEMBL8201272 0.66 TACR1 (0.36) TACR1
SCHEMBL8201944 0.66 TACR1 (0.38) TACR1
SCHEMBL8201255 0.64 TACR1 (0.32) TACR1
SCHEMBL13059859 0.63 LIG1 (0.38) TACR1
SCHEMBL8201401 0.63 GRIN2D (0.35) TACR1
SCHEMBL8201999 0.63 GRIN2D (0.36) 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-0880529-A1 SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1998-12-02 EP claimed
WO-1997030056-A1 SPIRO-KETAL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-08-21 WO claimed