SCHEMBL26437835

SCHEMBL26437835

OCC1CCN(c2ccn3ccnc3c2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
SUV39H2 Q9H5I1 6/20 0.43
PIK3C3 Q8NEB9 1/20 0.40
F10 P00742 1/20 0.38
AOC3 Q16853 1/20 0.38
QPCT Q16769 3/20 0.37
PDE10A Q9Y233 2/20 0.36
BPTF Q12830 1/20 0.36
NAMPT P43490 1/20 0.36
HSD11B1 P28845 1/20 0.35

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
SCHEMBL26437992 0.89 HRH3 (0.42) HRH3SUV39H2PIK3C3F10AOC3
SCHEMBL26438297 0.85 HRH3 (0.47) HRH3SUV39H2QPCTPDE10A
SCHEMBL26437436 0.82 HRH3 (0.49) HRH3SUV39H2PIK3C3F10AOC3
SCHEMBL26437457 0.82 HRH3 (0.49) HRH3SUV39H2PIK3C3F10AOC3
SCHEMBL13336404 0.82 HRH3 (0.49) HRH3SUV39H2PIK3C3F10AOC3
SCHEMBL26438121 0.81 HRH3 (0.41) HRH3SUV39H2PIK3C3F10AOC3
SCHEMBL26437646 0.79 HRH3 (0.54) HRH3SUV39H2PIK3C3F10AOC3
SCHEMBL26437508 0.79 SYK (0.45) HRH3SUV39H2PIK3C3F10AOC3
SCHEMBL26437360 0.76 HRH3 (0.54) HRH3SUV39H2PIK3C3QPCT
SCHEMBL26437555 0.76 HRH3 (0.45) HRH3SUV39H2PIK3C3F10AOC3

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
WO-2023066204-A1 SIK INHIBITOR, COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海美悦生物科技发展有限公司 2023-04-27 WO disclosed