SCHEMBL1728648

SCHEMBL1728648

O=c1n(-c2ccc(OCCNCC3CCCO3)cc2)ccn1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTR1A P08908 10/20 0.45
RAB9A P51151 1/20 0.45
ADRA1D P25100 6/20 0.44
ADRA1A P35348 4/20 0.44
ADRA1B P35368 4/20 0.44
BTK Q06187 1/20 0.43
CXCR4 P61073 1/20 0.43

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
SCHEMBL6081674 0.84 HTR1A (0.45) MEN1KMT2AHTR1AADRA1DADRA1A
SCHEMBL6082947 0.82 DRD4 (0.57)
SCHEMBL6081506 0.78 ALDH1A1 (0.46) MEN1KMT2AHPGDSMN1; SMN2TDP1
SCHEMBL6081769 0.78 ALDH1A1 (0.46) L3MBTL1HTR1AADRA1DADRA1AADRA1B
SCHEMBL1729303 0.77 ALDH1A1 (0.51) MEN1KMT2AHPGDSMN1; SMN2TDP1
SCHEMBL1728589 0.77 DRD2 (0.53) MEN1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL1729079 0.76 GAA (0.62) MEN1KMT2A
SCHEMBL6081354 0.76 DRD2 (0.56) MEN1LMNAKMT2AHPGDSMN1; SMN2
SCHEMBL1727502 0.76 MAOB (0.48)
SCHEMBL13499480 0.75 HPGD (0.42) HTTMEN1KMT2AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed
US-7141561-B2 Substituted diaryl heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-28 US disclosed