SCHEMBL5822729

SCHEMBL5822729

O=C(c1ccc(-c2ccccc2)c(F)c1F)C1CC2CCC(C1)N2c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
SLC6A7 Q99884 2/20 0.37
HCRTR1 O43613 8/20 0.34
HCRTR2 O43614 8/20 0.34
CYP2C19 P33261 1/20 0.33
SLC18A3 Q16572 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TNKS2 Q9H2K2 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 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
SCHEMBL3577929 0.74 SLC6A7 (0.41) KDM4EALDH1A1SLC6A7LMNAHTT
SCHEMBL3578011 0.71 SLC6A7 (0.50) KDM4ESLC6A7
SCHEMBL3577960 0.69 SLC6A7 (0.41) KDM4ESLC6A7CYP2C19SLC18A3L3MBTL1
SCHEMBL3580349 0.68 SLC6A7 (0.34) KDM4EALDH1A1TSHRSLC6A7CYP2C19
SCHEMBL3572446 0.67 SLC6A7 (0.70) SLC6A7
SCHEMBL5728666 0.66 HNF4A (0.48) KDM4EALDH1A1TSHRCYP2C19LMNA
SCHEMBL1024219 0.63 KDM4E (0.41) KDM4ESLC6A7CYP2C19
SCHEMBL23573105 0.63 BCAT2 (0.58) KDM4EALDH1A1TSHRCYP2C19L3MBTL1
SCHEMBL10533047 0.60 ALOX5AP (0.53) ALDH1A1TSHRCYP2C19LMNA
Hydrochloric Acid SCHEMBL9429125 0.59 HTR3A (0.43) KDM4EALDH1A1LMNA

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-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed