SCHEMBL20439603

SCHEMBL20439603

O=C1CC(COCc2ccc3cc4ccccc4cc3c2)CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR3A P46098 1/20 0.36
HTR4 Q13639 1/20 0.36
KCNH2 Q12809 2/20 0.35
FKBP1A P62942 1/20 0.35
RAB9A P51151 1/20 0.35
GBA1 P04062 2/20 0.34
UGCG Q16739 2/20 0.34
GBA2 Q9HCG7 2/20 0.34
MAOB P27338 2/20 0.33
GRM5 P41594 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL4392777 0.82 TAAR1 (0.48) FKBP1ATAAR1NAAA
SCHEMBL12689800 0.75 HRH3 (0.41) RAB9A
SCHEMBL16667612 0.72 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL12689742 0.69 KDM4E (0.43) HTR4KCNH2
SCHEMBL18889549 0.68 TSHR (0.46) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL5272032 0.68 ANPEP (0.39) GRM1
SCHEMBL16397855 0.67 TAAR1 (0.50) FKBP1ATAAR1NAAA
SCHEMBL12689839 0.67 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL18862448 0.67 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL433146 0.66 CYP1A2 (0.58) SLC6A2SLC6A4SLC6A3HTR2AHTR2C

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
US-20180217497-A1 PATTERN FORMING METHOD AND ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION FUJIFILM CORPORATION (JP) 2018-08-02 US disclosed