SCHEMBL8156773

SCHEMBL8156773

C=CCOc1ccc(OC(F)(F)F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
CRHR1 P34998 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.36
AGER Q15109 1/20 0.36
GPR3 P46089 2/20 0.36
FLT3 P36888 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
SCHEMBL25998819 0.85 ALDH1A1 (0.45) CRHR1ALDH1A1GAAPOLBTHRB
SCHEMBL27051423 0.80 GAA (0.60) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL8148399 0.80 S1PR1 (0.46) MEN1KMT2ACRHR1ALDH1A1HPGD
SCHEMBL7651507 0.80 KDM4E (0.46) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL8163202 0.78 FFAR1 (0.39) ALDH1A1HPGDGAAPOLBTHRB
SCHEMBL19616709 0.77 MAPT (0.43) CRHR1ALDH1A1HPGDGAAPOLB
SCHEMBL29493403 0.77 MAPT (0.43) CRHR1ALDH1A1HPGDGAAPOLB
SCHEMBL8156359 0.77 MCHR1 (0.47) ALDH1A1GAAPOLBTHRB
SCHEMBL15880460 0.77 CA12 (0.49) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL27493434 0.77 ALDH1A1 (0.48) MEN1KMT2AHTTALDH1A1HPGD

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-6071927-A Spiro-piperidine derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2000-06-06 US disclosed
CN-1223656-A Spiro-piperidine derivatives and their use as therapeutic agents MERCK SHARP & DOHME (GB) 1999-07-21 CN disclosed
EP-0906315-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
WO-1997049710-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-31 WO disclosed