SCHEMBL23036775

SCHEMBL23036775

COc1cc([C@@H]2CCCCCN2C=O)c(OC)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A3 P47895 1/20 0.33
TRPC6 Q9Y210 2/20 0.33
ACHE P22303 1/20 0.33
ACVR2A P27037 1/20 0.33
TGFBR2 P37173 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNA2 Q15822 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL21491218 1.00 ALDH1A1 (0.34) ALDH1A1MAPTPDGFRBPDGFRAKDM4E
SCHEMBL21491372 0.78 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL31472402 0.78 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL23036750 0.78 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL21491412 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL23036720 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL31472335 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL23036732 0.72 CHRNB4 (0.39) ALDH1A1MAPTKDM4ECHRNB2CHRNB4
SCHEMBL21491186 0.71 TSHR (0.41) ALDH1A1
SCHEMBL23036825 0.71 TSHR (0.41) ALDH1A1

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
EP-3784666-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2021-03-03 EP disclosed