SCHEMBL10841237

SCHEMBL10841237

CC(C)Oc1cccc2c1NC(C)(C)CC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR5A P47898 4/20 0.42
▸ HTR1A P08908 3/20 0.42
▸ HTR1D P28221 3/20 0.42
▸ HTR2C P28335 3/20 0.42
▸ HTR7 P34969 3/20 0.42
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ NISCH Q9Y2I1 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL29789658 0.83 HTR5A (0.45) HTR5AHTR1AHTR1DHTR2CHTR7
SCHEMBL6986075 0.83 HTR5A (0.45) HTR5AHTR1AHTR1DHTR2CHTR7
SCHEMBL10839955 0.79 ALDH1A1 (0.39) HTR2CGAA
SCHEMBL10841085 0.78 SLC6A2 (0.36) HTR1AGAA
SCHEMBL10839480 0.74 HTR5A (0.41) HTR5ACA1CA2CA7CA9
SCHEMBL10840441 0.72 PDE7A (0.37) CA1CA2CA7CA9
SCHEMBL29789651 0.72 HTR5A (0.40) HTR5ACA1CA2CA7CA9
SCHEMBL10840955 0.72 HTR5A (0.40) HTR5ACA1CA2CA7CA9
SCHEMBL10841141 0.72 AHR (0.43) HTR5AHTR2CADRA2AADRA2BADRA2C
SCHEMBL10909385 0.72 SRC (0.56) HTR5AHTR1AHTR1DHTR2CHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0198264-A2 Carbamoyl imidazoles NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-10-22 — — EP disclosed
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