SCHEMBL5793771

SCHEMBL5793771

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.40
TMEM97 Q5BJF2 3/20 0.40
UTS2R Q9UKP6 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 2/20 0.36
AXL P30530 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5796898 0.92 UTS2R (0.42) SMN1; SMN2MAPTTMEM97UTS2RCRHBP
SCHEMBL5794585 0.90 SMN1; SMN2 (0.44) SMN1; SMN2MAPTTMEM97UTS2RCRHBP
SCHEMBL5794961 0.89 SMN1; SMN2 (0.45) SMN1; SMN2MAPTCRHBPCRHR2ALDH1A1
SCHEMBL5796795 0.85 MAPT (0.45) SMN1; SMN2MAPTCRHBPCRHR2ALDH1A1
SCHEMBL5806244 0.84 SMN1; SMN2 (0.43) SMN1; SMN2MAPTTMEM97UTS2RCRHBP
SCHEMBL5793348 0.82 MAPT (0.48) SMN1; SMN2MAPTCRHBPCRHR2ALDH1A1
SCHEMBL5796566 0.82 MAPT (0.46) SMN1; SMN2MAPTUTS2RCRHBPCRHR2
SCHEMBL5793764 0.82 MAPT (0.46) SMN1; SMN2MAPTUTS2RCRHBPCRHR2
SCHEMBL5820332 0.76 LMNA (0.54) SMN1; SMN2MAPTCRHBPCRHR2ALDH1A1
SCHEMBL5796876 0.76 MAPT (0.42) SMN1; SMN2MAPTTMEM97UTS2RALDH1A1

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