SCHEMBL5134903

SCHEMBL5134903

O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)C1Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTTP P55157 13/20 0.50
APOB P04114 9/20 0.50
TACR1 P25103 2/20 0.49
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.41

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
SCHEMBL5137387 0.90 MEN1 (0.57) TACR1MEN1ALDH1A1KMT2ALTB4R2
SCHEMBL5359589 0.86 MEN1 (0.51) TACR1MEN1ALDH1A1KMT2ALTB4R2
SCHEMBL5137981 0.84 OXTR (0.43) MTTPAPOBHCRTR1HCRTR2
SCHEMBL5138006 0.84 ALDH1A1 (0.50) TACR1MEN1ALDH1A1KMT2AHCRTR1
SCHEMBL5136654 0.83 MEN1 (0.49) TACR1MEN1ALDH1A1KMT2ALTB4R2
SCHEMBL5373300 0.83 MEN1 (0.46) MEN1ALDH1A1KMT2ALTB4R2
SCHEMBL5135771 0.82 MEN1 (0.51) TACR1MEN1ALDH1A1KMT2ALTB4R2
SCHEMBL5136107 0.82 MEN1 (0.51) TACR1MEN1ALDH1A1KMT2ALTB4R2
SCHEMBL5995268 0.81 OPRM1 (0.48) TACR1MEN1ALDH1A1KMT2A
SCHEMBL5359612 0.81 TACR1 (0.57) MTTPTACR1MEN1ALDH1A1KMT2A

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
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed