SCHEMBL3822046

SCHEMBL3822046

COC1CCN([C@@H](C)CN)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.35
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.31
AOC3 Q16853 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
SIGMAR1 Q99720 2/20 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
SCHEMBL21130809 1.00 HRH3 (0.35) HRH3KMT2ADPP4AOC3KCNQ3
SCHEMBL19932538 0.82 HRH3 (0.34) HRH3
SCHEMBL13101427 0.82 HRH3 (0.49) HRH3KMT2AKCNQ3KCNQ2SIGMAR1
SCHEMBL4047010 0.78 KDM4E (0.32) HRH3DPP4
SCHEMBL31704439 0.77 SIGMAR1 (0.42) HRH3KMT2ASIGMAR1
SCHEMBL178416 0.76 HRH3 (0.44) HRH3
SCHEMBL25571546 0.76 KMT2A (0.33) HRH3KMT2AKCNQ3KCNQ2
SCHEMBL21096753 0.75
SCHEMBL11224155 0.75 ALDH1A1 (0.37) KMT2A
SCHEMBL19462858 0.74 KMT2A (0.35) HRH3KMT2ASIGMAR1

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-2091927-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-Roche AG (CH) 2009-08-26 EP disclosed
WO-2008055840-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed