SCHEMBL10554118

SCHEMBL10554118

CC(=O)Nc1cc(CCN2CCCCC2)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.56
SIGMAR1 Q99720 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
MET P08581 1/20 0.48
EPHX2 P34913 1/20 0.48
MAPK1 P28482 1/20 0.47
CYP19A1 P11511 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPY1R P25929 1/20 0.46
EGFR P00533 1/20 0.46

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
SCHEMBL10554709 1.00 BRD4 (0.56) BRD4SIGMAR1MEN1KMT2AHRH3
SCHEMBL10557958 0.99 BRD4 (0.57) BRD4SIGMAR1MEN1KMT2AHRH3
SCHEMBL10923941 0.90 SIGMAR1 (0.54) SIGMAR1MEN1KMT2AHRH3MET
SCHEMBL10922973 0.90 SIGMAR1 (0.54) SIGMAR1MEN1KMT2AHRH3MET
SCHEMBL10556078 0.90 SIGMAR1 (0.52) SIGMAR1MEN1KMT2AHRH3MET
SCHEMBL10555843 0.90 SIGMAR1 (0.52) SIGMAR1MEN1KMT2AHRH3MET
Bromide SCHEMBL10552937 0.89 SIGMAR1 (0.53) SIGMAR1MEN1KMT2AHRH3MET
Bromide SCHEMBL10555748 0.89 SIGMAR1 (0.53) SIGMAR1MEN1KMT2AHRH3MET
SCHEMBL10926914 0.89 SIGMAR1 (0.55) SIGMAR1MEN1KMT2AHRH3MET
SCHEMBL10556396 0.88 SIGMAR1 (0.53) BRD4SIGMAR1MEN1KMT2AHRH3

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
US-4847269-A GLAUCOMA, AMIDES OR UREA DERIVATIVES OF AMINOETHYLCARBOXY COMPOUNDS SYNTEX (U.S.A.) INC. (US) 1989-07-11 US disclosed
US-4629730-A ADMINISTERING DIALKYL OR CYCLOAKYL AMINO ETHYLANILINE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1986-12-16 US disclosed
EP-0180994-A2 Antihypertensive dialkyl aminoethylaniline derivatives SYNTEX (U.S.A.) INC. (US) 1986-05-14 EP disclosed