SCHEMBL25828556

SCHEMBL25828556

CC#CCNC(=O)C(C)(C)CCC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
CNR1 P21554 1/20 0.35
CCR2 P41597 1/20 0.34
ALDH1A1 P00352 1/20 0.32
RIPK1 Q13546 1/20 0.32
SMO Q99835 1/20 0.31
TRPA1 O75762 2/20 0.30
ELANE P08246 1/20 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
SCHEMBL17447489 0.78 MEN1 (0.41) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL19882341 0.77 KMT2A (0.46) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL18876819 0.75 CNR1 (0.45) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL19188293 0.74 MEN1 (0.43) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL19176845 0.72 MEN1 (0.42) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL17447490 0.72 CNR1 (0.58) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL21635719 0.72 MEN1 (0.42) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL16307350 0.71 ALDH1A1 (0.48) MEN1KMT2AALDH1A1
SCHEMBL23502424 0.71 MEN1 (0.41) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL20371620 0.71 CYP2D6 (0.45) MEN1KMT2ATDP1DRD2DRD4

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-3797170-B1 POLYNUCLEOTIDE SYNTHESIS METHOD, SYSTEM AND KIT OXFORD NANOPORE TECH PLC (GB) 2023-07-19 EP disclosed