SCHEMBL6544010

SCHEMBL6544010

[CH]1CCC=C(Cc2ccccn2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
HRH1 P35367 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CYP1A2 P05177 3/20 0.36
GRM5 P41594 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LIN28A Q9H9Z2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6544004 1.00 HRH3 (0.41) HRH3HRH1ALDH1A1LMNATAAR1
SCHEMBL28444367 0.87 L3MBTL1 (0.45) HRH3HRH1ALDH1A1LMNATAAR1
SCHEMBL6543931 0.76 ALDH1A1 (0.40) ALDH1A1ALOX15L3MBTL1KMT2AMEN1
SCHEMBL6399434 0.70 ALDH1A1 (0.33) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL41191 0.70 L3MBTL1 (0.59) HRH3HRH1ALDH1A1LMNATAAR1
SCHEMBL29830938 0.70 L3MBTL1 (0.59) HRH3HRH1ALDH1A1LMNATAAR1
SCHEMBL4938201 0.68 L3MBTL1 (0.57) HRH3HRH1ALDH1A1LMNATAAR1
Ammonia Solution, Strong SCHEMBL6176560 0.68 L3MBTL1 (0.57) HRH3HRH1ALDH1A1LMNATAAR1
Bromide SCHEMBL6114859 0.68 L3MBTL1 (0.57) HRH3HRH1ALDH1A1LMNATAAR1
Hydrochloric Acid SCHEMBL10884973 0.68 L3MBTL1 (0.57) HRH3HRH1ALDH1A1LMNATAAR1

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
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed