SCHEMBL1489616

SCHEMBL1489616

C1CCN([C@H]2CC[N]C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 8/20 0.39
L3MBTL1 Q9Y468 8/20 0.39
MBTD1 Q05BQ5 4/20 0.35
HTR6 P50406 1/20 0.34
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
FYN P06241 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL1489870 1.00 L3MBTL3 (0.39) L3MBTL3L3MBTL1MBTD1HTR6CYP2D6
SCHEMBL1489973 1.00 L3MBTL3 (0.39) L3MBTL3L3MBTL1MBTD1HTR6CYP2D6
SCHEMBL667276 0.98 L3MBTL1 (0.40) L3MBTL3L3MBTL1MBTD1HTR6ALDH1A1
SCHEMBL477164 0.98 L3MBTL1 (0.40) L3MBTL3L3MBTL1MBTD1HTR6ALDH1A1
SCHEMBL667548 0.98 L3MBTL1 (0.40) L3MBTL3L3MBTL1MBTD1HTR6ALDH1A1
SCHEMBL1664709 0.93
SCHEMBL2008594 0.88 L3MBTL3 (0.38) L3MBTL3L3MBTL1MBTD1HTR6CYP2D6
SCHEMBL4166916 0.86 HTR6 (0.41) L3MBTL3L3MBTL1MBTD1HTR6
SCHEMBL3933942 0.86 L3MBTL1 (0.39) L3MBTL3L3MBTL1MBTD1HTR6ALDH1A1
SCHEMBL3549709 0.85 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1HTR6CYP2D6

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-1888565-B1 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-03-23 EP disclosed