SCHEMBL5804244

SCHEMBL5804244

c1c[nH]c(COC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNA4 P43681 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR4 Q13639 1/20 0.33
HTR1A P08908 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
SCHEMBL29225355 0.72 ALDH1A1 (0.48) KDM4EL3MBTL1MAPK1HTTKMT2A
SCHEMBL29225354 0.72 CYP19A1 (0.52) KDM4EMAPK1HPGDLMNAHTT
SCHEMBL11384661 0.72 HTR3A (0.50) HTR3AHTT
SCHEMBL13281350 0.71 HTT (0.49) KDM4ELMNAHTTKMT2A
SCHEMBL4965091 0.71 KDM4E (0.46) KDM4EL3MBTL1PRMT5WDR77SLC6A2
SCHEMBL4962479 0.70 CARM1 (0.48) SLC6A2HTR2AHTR2CSLC6A4HTR7
SCHEMBL61112 0.69 CTSL (0.56) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL9131464 0.69 CTSL (0.56) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL8606746 0.69 HRH4 (0.47) HTR3A
SCHEMBL10972132 0.69 MAOA (0.38)

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
WO-2006073938-A2 METHOD FOR THE SYNTHESIS OF 3-SUBSTITUTED INDOLIZINE AND BENZOINDOLIZINE COMPOUNDS EAST CAROLINA UNIVERSITY (US) 2006-07-13 WO disclosed