SCHEMBL16661998

SCHEMBL16661998

CCN1CCN(C(=O)COc2ccc(C(C)=O)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
ACHE P22303 3/20 0.58
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 1/20 0.56
HRH2 P25021 1/20 0.55
HRH1 P35367 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
FKBP1A P62942 1/20 0.53
ADRB2 P07550 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL10282549 0.86 ACHE (0.72) POLBACHEALDH1A1SMN1; SMN2HTT
SCHEMBL15134834 0.86 POLB (0.68) POLBACHEALDH1A1MEN1KMT2A
SCHEMBL335348 0.85 RAB9A (0.66) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL4377393 0.85 MAPK1 (0.54) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL10282350 0.84 POLB (0.69) POLBACHEALDH1A1MEN1KMT2A
SCHEMBL10282611 0.84 ALDH1A1 (0.74) POLBACHEALDH1A1MEN1KMT2A
SCHEMBL15650734 0.84 POLB (0.61) POLBACHEALDH1A1MEN1KMT2A
SCHEMBL5061523 0.83 ALDH1A1 (0.64) POLBACHEALDH1A1MEN1KMT2A
SCHEMBL5055842 0.82 LMNA (0.66) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL10244937 0.82 NPC1 (0.57) POLBALDH1A1MEN1KMT2ALMNA

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-2405973-B1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2015-04-22 EP disclosed