SCHEMBL5796898

SCHEMBL5796898

COc1ccc(C2CCCCN2CCNc2ccc(C(F)(F)F)c(C(F)(F)F)c2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TMEM97 Q5BJF2 3/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.38
MAPK1 P28482 2/20 0.38
HTR2A P28223 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL5793771 0.92 SMN1; SMN2 (0.41) UTS2RMAPTSMN1; SMN2TMEM97CRHBP
SCHEMBL5794585 0.92 SMN1; SMN2 (0.44) UTS2RMAPTSMN1; SMN2TMEM97CRHBP
SCHEMBL5806244 0.86 SMN1; SMN2 (0.43) UTS2RMAPTSMN1; SMN2TMEM97CRHBP
SCHEMBL5794961 0.85 SMN1; SMN2 (0.45) MAPTSMN1; SMN2CRHBPCRHR2ALDH1A1
SCHEMBL5796566 0.84 MAPT (0.46) UTS2RMAPTSMN1; SMN2CRHBPCRHR2
SCHEMBL5793764 0.84 MAPT (0.46) UTS2RMAPTSMN1; SMN2CRHBPCRHR2
SCHEMBL5793348 0.84 MAPT (0.48) MAPTSMN1; SMN2CRHBPCRHR2ALDH1A1
SCHEMBL5796795 0.82 MAPT (0.45) MAPTSMN1; SMN2CRHBPCRHR2ALDH1A1
SCHEMBL5820332 0.78 LMNA (0.54) MAPTSMN1; SMN2CRHBPCRHR2ALDH1A1
SCHEMBL5796876 0.77 MAPT (0.42) UTS2RMAPTSMN1; SMN2TMEM97ALDH1A1

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-2006015279-A1 HETEROCYCLIC DIAMINE COMPOUNDS AS LIGANDS OF THE MELANIN CONCENTRATING HORMONE RECEPTOR USEFUL FOR THE TREATMENT OF OBESITY, DIABETES, EATING AND SEXUAL DISORDERS NEUROGEN CORPORATION (US) 2006-02-09 WO claimed