SCHEMBL24727397

SCHEMBL24727397

NCCC1CCN(I)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.36
SIGMAR1 Q99720 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ENPP1 P22413 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
ST14 Q9Y5Y6 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
SCHEMBL21377186 0.80 ALDH1A1 (0.31) NCF1
SCHEMBL5667084 0.77 NCF1 (0.37) NCF1SIGMAR1CHRM2CHRM1CHRM3
SCHEMBL17282488 0.75 NCF1 (0.36) NCF1SIGMAR1CHRM2CHRM1CHRM3
SCHEMBL41970 0.75 NCF1 (0.65) NCF1SIGMAR1CHRM2CHRM1CHRM3
SCHEMBL20041189 0.75 CYP1A2 (0.36) NCF1CHRM2CHRM1CHRM3
SCHEMBL13206513 0.75 TYMP (0.37)
SCHEMBL25365 0.74
SCHEMBL11750040 0.74 SIGMAR1 (0.43) SIGMAR1
SCHEMBL203650 0.74 SIGMAR1 (0.43) SIGMAR1
SCHEMBL3574921 0.73 HRH3 (0.36) NCF1SIGMAR1CHRM2CHRM1CHRM3

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-2022261504-A1 DENDRIMER CONJUGATES AND METHODS OF USE THEREOF Ashvattha Therapeutics, Inc. (US) 2022-12-15 WO disclosed