SCHEMBL22909136

SCHEMBL22909136

CCC(=O)N(C)C[C@H]1CN(CC)CCO1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.36
▸ DRD3 P35462 1/20 0.35
▸ PDK1 Q15118 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ AOC3 Q16853 1/20 0.30
▸ DRD4 P21917 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
SCHEMBL23696277 0.89 DRD3 (0.40) CCR2KCNH2DRD3PDK1
SCHEMBL23696421 0.89 DRD3 (0.40) CCR2KCNH2DRD3PDK1
SCHEMBL22856498 0.87 CCR2 (0.41) CCR2KCNH2HRH3DRD3PDK1
SCHEMBL26280371 0.87 CCR2 (0.41) CCR2KCNH2HRH3DRD3PDK1
SCHEMBL22906411 0.83 CACNA1H (0.37) CCR2KCNH2
SCHEMBL23696566 0.83 BCHE (0.32) CCR2KCNH2ALDH1A1
SCHEMBL23695786 0.83 BCHE (0.32) CCR2KCNH2ALDH1A1
SCHEMBL24511268 0.83 CACNA1H (0.37) CCR2KCNH2
SCHEMBL22793901 0.83 CCR2 (0.39) CCR2KCNH2HRH3DRD3PDK1
SCHEMBL23806641 0.83 CCR2 (0.39) CCR2KCNH2HRH3DRD3PDK1

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-2021011871-A1 MERTK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 — — WO disclosed
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