SCHEMBL8202011

SCHEMBL8202011

COc1ccc(C(F)(F)F)cc1[C@@]1(O)COCC2(C1)OC[C@H](c1ccc(F)cc1)N2CC#CCN(C)C

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 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
SCHEMBL8718133 0.84 TACR1 (0.38) TACR1
SCHEMBL8204411 0.84 TACR1 (0.38) TACR1
SCHEMBL8204124 0.81 TACR1 (0.34) TACR1
SCHEMBL8194454 0.73 TACR1 (0.38) TACR1
SCHEMBL8193750 0.73 TACR1 (0.38) TACR1
SCHEMBL8201822 0.73 CHRM4 (0.37) TACR1
SCHEMBL8194349 0.72 TACR1 (0.37) TACR1
SCHEMBL8717852 0.72 TACR1 (0.46) TACR1
SCHEMBL8201877 0.71 TACR1 (0.43) TACR1
SCHEMBL8720792 0.71 TACR1 (0.43) 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