SCHEMBL9733118

SCHEMBL9733118

c1cc(C2NCCO2)nnn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL6978615 0.73 DRD2 (0.41)
SCHEMBL441746 0.71 ALDH1A1 (0.36) ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL8371674 0.71 ALDH1A1 (0.40) ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL8533863 0.70 SLC6A2 (0.39) ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL27631977 0.68 ALDH1A1 (0.38) ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL27628026 0.68 ALDH1A1 (0.35) ALDH1A1
SCHEMBL28132486 0.67 ALDH1A1 (0.51) ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL1023795 0.66 ALDH1A1 (0.59) ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL10605112 0.65
SCHEMBL27512628 0.64 ALDH1A1 (0.38) ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5103003-A 3-(1,3-OXAZOLIDINYL)-S-TRIAZINE STAMICARBON B.V. (NL) 1992-04-07 US disclosed
EP-0390278-A1 3-(1,3-oxazolidinyl)-s-triazine DSM N.V. (NL) 1990-10-03 EP disclosed