SCHEMBL7361545

SCHEMBL7361545

[CH2]C(C)C(CCCCN)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.44
MAOA P21397 2/20 0.44
SLC6A2 P23975 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
MMP2 P08253 1/20 0.43
CYP2D6 P10635 1/20 0.42
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
CSNK1E P49674 1/20 0.39
EPHX1 P07099 1/20 0.38
ANPEP P15144 1/20 0.38
CPB2 Q96IY4 1/20 0.38
SLC18A2 Q05940 1/20 0.38

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
SCHEMBL9187239 0.79 CYP2D6 (0.53) TAAR1MAOASLC6A2SIGMAR1SLC6A4
SCHEMBL8512221 0.79 TAAR1 (0.50) TAAR1MAOASLC6A2SIGMAR1SLC6A4
SCHEMBL21242301 0.77 TAAR1 (0.48) TAAR1MAOASLC6A2SIGMAR1SLC6A4
SCHEMBL23934035 0.76 TAAR1 (0.47) TAAR1MAOASLC6A2SIGMAR1SLC6A4
SCHEMBL11094964 0.73 MAOA (0.52) TAAR1MAOASLC6A2SIGMAR1SLC6A4
SCHEMBL8086703 0.73 MAOA (0.52) TAAR1MAOASLC6A2SIGMAR1SLC6A4
SCHEMBL8713206 0.73 EPHX1 (0.61) TAAR1MAOASLC6A2SIGMAR1SLC6A4
SCHEMBL11097972 0.73 MAOA (0.52) TAAR1MAOASLC6A2SIGMAR1SLC6A4
SCHEMBL19628486 0.73 TAAR1 (0.52) TAAR1MAOASLC6A2SIGMAR1SLC6A4
SCHEMBL9329236 0.73 MAOA (0.52) TAAR1MAOASLC6A2SIGMAR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722321-A4 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1998-04-15 EP disclosed
EP-0722321-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 EP disclosed
US-5470834-A Metalloproteinase enzyme inhibitors for arthritis, rheumatism and cancers FLORIDA STATE UNIVERSITY (US) 1995-11-28 US disclosed
WO-1995009620-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed