SCHEMBL10839955

SCHEMBL10839955

CCOc1cccc2c1NC(C)(C)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ GRK6 P43250 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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) HTR2C
SCHEMBL6986075 0.83 HTR5A (0.45) HTR2C
SCHEMBL10841237 0.79 HTR5A (0.42) GAAHTR2C
SCHEMBL10841085 0.78 SLC6A2 (0.36) ALDH1A1KMT2AHTTGAAL3MBTL1
SCHEMBL12090742 0.74 CYP19A1 (0.48) ALDH1A1DDB1CRBNHPGDGRK6
SCHEMBL10839480 0.74 HTR5A (0.41) ALDH1A1HSD17B10TSHRKMT2AMEN1
SCHEMBL10840441 0.72 PDE7A (0.37) —
SCHEMBL29789651 0.72 HTR5A (0.40) —
SCHEMBL10841141 0.72 AHR (0.43) MAPTHTR2AHTR2CDAONPSR1
SCHEMBL10840955 0.72 HTR5A (0.40) —

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
Send feedback