SCHEMBL8299446

SCHEMBL8299446

Fc1ccc2c(CN3CCc4ccccc4C3)n[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.48
ADRA1B P35368 1/20 0.48
CD44 P16070 1/20 0.47
DRD2 P14416 6/20 0.46
DRD3 P35462 6/20 0.46
HTR2A P28223 5/20 0.46
HTR1A P08908 4/20 0.46
HTR7 P34969 4/20 0.46
HTR2B P41595 4/20 0.46
SLC6A4 P31645 2/20 0.46
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MAP2K4 P45985 1/20 0.43
DRD4 P21917 2/20 0.42

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
SCHEMBL8297406 0.86 CD44 (0.47) CD44DRD2DRD3HTR2AHTR1A
SCHEMBL8297777 0.85 KDM4E (0.55) CD44DRD2DRD3HTR2AHTR1A
SCHEMBL1545798 0.80 ADRA1D (0.52) ADRA1DADRA1BDRD2DRD3HTR2A
SCHEMBL1544851 0.77 ADRA1D (0.62) ADRA1DADRA1BDRD2DRD3HTR2A
SCHEMBL8872939 0.77 ADRA1D (0.60) ADRA1DADRA1BDRD2DRD3HTR2A
SCHEMBL8634398 0.76 MAP2K4 (0.46) ADRA1DADRA1BDRD2DRD3HTR1A
SCHEMBL8296824 0.75 CD44 (0.48) CD44DRD2DRD3TSHRMAPK1
SCHEMBL27444886 0.74 MAP2K4 (0.43) ADRA1DADRA1BHTR2AMAPK1MAP2K4
SCHEMBL1545504 0.74 ADRA1D (0.44) ADRA1DADRA1BDRD2HTR2AHTR1A
Fumaric Acid SCHEMBL9090732 0.73 ADRA1D (0.46) ADRA1DADRA1BDRD2DRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0701555-B1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 1999-08-04 EP claimed
EP-0701555-A1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1996-03-20 EP claimed
WO-1994021626-A1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-09-29 WO claimed
EP-0701555-B1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 1999-08-04 EP disclosed
US-5665732-A Indazole derivatives MERCK, SHARP & DOHME LTD. (GB) 1997-09-09 US disclosed
EP-0701555-A1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1996-03-20 EP disclosed
WO-1994021626-A1 INDAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-09-29 WO disclosed