SCHEMBL29951700

SCHEMBL29951700

NCC1CCN(CCC=O)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
CXCR4 P61073 1/20 0.33
LTA4H P09960 1/20 0.31
BPTF Q12830 1/20 0.30
PRMT3 O60678 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT1 Q99873 1/20 0.30
PRMT8 Q9NR22 1/20 0.30
ARG1 P05089 1/20 0.30
ARG2 P78540 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
SCHEMBL2707078 0.81 NCF1 (0.39) NCF1CXCR4BPTFPRMT3CARM1
SCHEMBL2560134 0.77 HRH2 (0.38) LTA4H
SCHEMBL31124206 0.75 L3MBTL1 (0.32)
SCHEMBL18290280 0.75 NCF1 (0.45) NCF1CXCR4BPTFPRMT3CARM1
SCHEMBL30560776 0.75 L3MBTL1 (0.32)
SCHEMBL9437336 0.75 NCF1 (0.50) NCF1
SCHEMBL31124238 0.75 L3MBTL1 (0.32)
SCHEMBL2555396 0.73 GNAO1 (0.34) NCF1CARM1PRMT6PRMT1PRMT8
Hydrochloric Acid SCHEMBL18281276 0.73 NCF1 (0.43) NCF1CXCR4PRMT3CARM1PRMT6
Hydrochloric Acid SCHEMBL18281278 0.73 NCF1 (0.43) NCF1CXCR4PRMT3CARM1PRMT6

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed