SCHEMBL7093892

SCHEMBL7093892

NCC(c1cccc(N)c1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
CPN1 P15169 1/20 0.41
CPB2 Q96IY4 1/20 0.41
TAAR1 Q96RJ0 4/20 0.41
HTR2A P28223 1/20 0.41
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
SLC6A3 Q01959 1/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
CYP19A1 P11511 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL7094120 0.93 SLC6A2 (0.41) SLC6A2SLC6A4CPN1CPB2TAAR1
SCHEMBL7093914 0.83 TAAR1 (0.52) SLC6A2SLC6A4TAAR1HTR2ASLC6A3
SCHEMBL7090263 0.82 CYP3A4 (0.50) SLC6A2SLC6A4TAAR1HTR2AMAOA
SCHEMBL7093897 0.81 IDO1 (0.46) SLC6A2SLC6A4TAAR1HTR2A
SCHEMBL7092760 0.77 HTR2A (0.43) SLC6A2SLC6A4TAAR1HTR2A
SCHEMBL7093907 0.74 HTR2A (0.56) SLC6A2SLC6A4TAAR1HTR2ASLC6A3
SCHEMBL7093212 0.73 NR3C1 (0.54)
SCHEMBL677579 0.73 MAOA (0.42) MAOAMAOBCYP3A4CASP1RECQL
SCHEMBL15389542 0.71 CYP3A4 (0.48) CPN1CPB2TAAR1HTR2AMAOA
SCHEMBL7093888 0.70 CPN1 (0.46) SLC6A2SLC6A4CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO disclosed