SCHEMBL29079559

SCHEMBL29079559

Cc1n[nH]c2cccc(OCCCN3CCN(C(=O)OC(C)(C)C)CC3)c12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.50
RXFP1 Q9HBX9 1/20 0.45
ACKR3 P25106 2/20 0.42
TLR8 Q9NR97 1/20 0.42
PLK1 P53350 1/20 0.42
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ABCB1 P08183 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
SCHEMBL29768191 1.00 EPHX2 (0.50) EPHX2RXFP1ACKR3TLR8PLK1
SCHEMBL29767992 0.86 ALDH1A1 (0.44)
SCHEMBL29079629 0.76 GPR119 (0.47)
SCHEMBL29768153 0.76 GPR119 (0.47)
SCHEMBL23657213 0.75 CYP4F2 (0.50) EPHX2ACKR3HRH2HRH1
SCHEMBL31614313 0.74 EPHX2 (0.54) EPHX2RXFP1ABCB1
SCHEMBL5503629 0.74 GNRHR (0.54) EPHX2RXFP1ABCB1
SCHEMBL16466095 0.73 EPHX2 (0.54) EPHX2RXFP1
SCHEMBL2164770 0.73 KCNH2 (0.48) EPHX2RXFP1TLR8
SCHEMBL2128078 0.72 KDM4E (0.52) EPHX2HRH2HRH1

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
CN-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 CN disclosed