SCHEMBL21101611

SCHEMBL21101611

CC(C)N1CCC(CNC2CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.44
HTR4 Q13639 3/20 0.36
KDM1A O60341 2/20 0.34
ALDH1A1 P00352 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33
WHR1 P49842 1/20 0.33
ADRB3 P13945 1/20 0.32
KCNH2 Q12809 1/20 0.32
METAP2 P50579 1/20 0.31
MAOB P27338 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL8258122 0.92 HRH3 (0.41) HRH3HTR4KDM1AALDH1A1WHR1
SCHEMBL14453901 0.87 HRH3 (0.38) HRH3HTR4KDM1AALDH1A1WHR1
SCHEMBL19083162 0.83 HRH3 (0.36) HRH3
SCHEMBL19779743 0.82 HRH3 (0.36) HRH3
SCHEMBL21725268 0.81 HRH3 (0.35) HRH3ALDH1A1FLT3TYRO3MERTK
SCHEMBL3816722 0.79 HRH3 (0.40) HRH3HTR4KDM1AALDH1A1ADRB3
SCHEMBL14472413 0.79 MEN1 (0.41) HRH3KDM1AADRB3MAOB
SCHEMBL2617741 0.78 HRH3 (0.39) HRH3HTR4KDM1AALDH1A1ADRB3
SCHEMBL2616311 0.77 NCF1 (0.48) HRH3KDM1AMAOB
SCHEMBL16015325 0.75 HRH3 (0.43) HRH3KDM1AALDH1A1WHR1

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
EP-2688568-B1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-06-19 EP disclosed