SCHEMBL9722668

SCHEMBL9722668

NCC(O)c1ccc(Cl)c(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.39
NFKB1 P19838 3/20 0.39
TSHR P16473 2/20 0.39
HIF1A Q16665 2/20 0.39
HTR3A P46098 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
KDM4E B2RXH2 4/20 0.38
APEX1 P27695 3/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 5/20 0.36
MAPT P10636 3/20 0.36
RECQL P46063 3/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRB2 P07550 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36

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
SCHEMBL24740670 0.81 ADRA2C (0.38) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL17035510 0.81 TAAR1 (0.37) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL9446725 0.76 LMNA (0.36) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL15595870 0.75 TAAR1 (0.36) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL9446846 0.73 L3MBTL1 (0.40) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL17611046 0.69 MAOB (0.40) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL24302612 0.69 PDE2A (0.32) NFKB1
Phenylethanolamine SCHEMBL7150657 0.68 BLM (0.57) TAAR1NFKB1TSHRHIF1AHTR3A
Phenylethanolamine SCHEMBL21723498 0.68 BLM (0.57) TAAR1NFKB1TSHRHIF1AHTR3A
Phenylethanolamine SCHEMBL296410 0.68 BLM (0.57) TAAR1NFKB1TSHRHIF1AHTR3A

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-5106986-A PREPARATION OF AMINOETHANOL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-21 US disclosed
EP-0450180-A2 Process for the preparation of aminoethanol derivatives BAYER AG (DE) 1991-10-09 EP disclosed