SCHEMBL28045799

SCHEMBL28045799

CC(C)(C)C(=O)ON1CCC(Cc2ccc3nccnc3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ECE2 P0DPD6 1/20 0.43
MCHR1 Q99705 1/20 0.43
CCR3 P51677 3/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MGLL Q99685 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
SCHEMBL16112916 0.83 KEAP1 (0.51) ECE2KDM4EKEAP1NFE2L2
SCHEMBL28045840 0.79 OPRM1 (0.47) KDM4E
SCHEMBL27782129 0.79 ACHE (0.47) MCHR1
SCHEMBL28010202 0.78 MEN1 (0.44) CCR3ALDH1A1
SCHEMBL27791259 0.78 CCR3 (0.45) MCHR1CCR3ALDH1A1
SCHEMBL27841081 0.78 GABRP (0.40)
SCHEMBL27819618 0.78 SLC6A4 (0.38) CCR3KDM4EALDH1A1MGLL
SCHEMBL28824741 0.77 MCHR1 (0.48) MCHR1CCR3ALDH1A1
SCHEMBL28087020 0.77 CCR3 (0.49) CCR3
SCHEMBL28045809 0.76 SLC2A1 (0.49) CCR3KDM4EALDH1A1MGLL

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
CN-105143222-B Glycosidase inhibitor 默克专利有限公司 2018-02-02 CN disclosed
CN-105143222-A Glycosidase inhibitors MERCK PATENT GMBH 2015-12-09 CN disclosed