SCHEMBL8636129

SCHEMBL8636129

CN(C)CCc1c(O)cccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR2A P28223 7/20 0.46
HTR2C P28335 7/20 0.46
HTR2B P41595 3/20 0.40
HTR1A P08908 2/20 0.40
HTR1D P28221 2/20 0.40
DRD1 P21728 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1E P28566 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL7212907 0.85 HTR2A (0.47) KDM4EALDH1A1HPGDHSD17B10HTR2A
SCHEMBL30046455 0.83 HTR2C (0.41) ALDH1A1HSD17B10HTR2AHTR2CHTR1A
SCHEMBL4661408 0.83 TAAR1 (0.45) KDM4EHTR2AHTR2CHTR2BHTR1A
SCHEMBL6946233 0.78 KDM4E (0.55) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL2486332 0.75 TAAR1 (0.50) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL7862036 0.74 HTR2A (0.64) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL2658650 0.74 KDM4E (0.55) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL3183114 0.73 KDM4E (0.50) KDM4EALDH1A1MAPTHPGDTSHR
Hydrochloric Acid SCHEMBL29811165 0.73 TAAR1 (0.49) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL4343547 0.73 TAAR1 (0.49) HTR2AHTR2CHTR2BHTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753407-A Polyamic acid composition KABUSHIKI KAISHA TOSHIBA (JP) 1998-05-19 US disclosed
US-5585217-A Polyamic acid composition KABUSHIKI KAISHA TOSHIBA (JP) 1996-12-17 US disclosed