SCHEMBL29630875

SCHEMBL29630875

O=C(O)N1CCN(c2ccc(CO)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
AOC3 Q16853 13/20 0.46
AKR1C3 P42330 1/20 0.44
RORC P51449 1/20 0.43
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41

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
SCHEMBL3853696 1.00 HRH3 (0.53) HRH3AOC3AKR1C3RORCME2
SCHEMBL5233548 0.84 AOC3 (0.51) HRH3AOC3AKR1C3RORC
SCHEMBL5230760 0.83 RORC (0.49) HRH3AOC3RORC
SCHEMBL4321560 0.81 AOC3 (0.59) HRH3AOC3RORC
SCHEMBL29631009 0.81 AOC3 (0.51) HRH3AOC3RORC
SCHEMBL3853508 0.80 HRH3 (0.57) HRH3
SCHEMBL30564998 0.80 HRH3 (0.57) HRH3
SCHEMBL30922297 0.80 CHKA (0.51) HRH3
SCHEMBL31073166 0.78 HRH3 (0.44) HRH3AOC3
SCHEMBL1115477 0.78 AKR1C3 (0.68) AKR1C3

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-2022111636-A1 FUSED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2022-06-02 WO disclosed