SCHEMBL4621135

SCHEMBL4621135

CCCNC(C)(C)CCN

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN3A Q9NY46 1/20 0.33

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
SCHEMBL20206961 0.88 DNM1 (0.35) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL14645339 0.86 HTR1A (0.36) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL10454334 0.85 DNM1 (0.36)
SCHEMBL19185637 0.83 ALDH1A1 (0.38) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL19519646 0.82 ALDH1A1 (0.34)
SCHEMBL2640918 0.81 DNM1 (0.44)
SCHEMBL11184471 0.81
SCHEMBL16992897 0.79 CA12 (0.39) TDP1
SCHEMBL26582082 0.79 TSHR (0.33) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL21800000 0.78 ALDH1A1 (0.36)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140518-A1 NON-CATIONIC SOFTENERS AND METHODS OF USE ECOLAB USA INC. (US) 2022-06-30 WO disclosed
EP-1885718-A1 FLUORESCENT CHEMICAL COMPOUNDS HAVING HIGH SELECTIVITY FOR DOUBLE STRANDED DNA, AND METHODS FOR THEIR USE Molecular Probes, Inc. (US) 2008-02-13 EP disclosed
WO-2006124816-A1 FLUORESCENT CHEMICAL COMPOUNDS HAVING HIGH SELECTIVITY FOR DOUBLE STRANDED DNA, AND METHODS FOR THEIR USE MOLECULAR PROBES, INC. (US) 2006-11-23 WO disclosed