SCHEMBL20197196

SCHEMBL20197196

CCCCN(CCC)c1nccc(I)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.38
DYRK1A Q13627 1/20 0.35
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CRHR1 P34998 6/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
AGTR1 P30556 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 3/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ELANE P08246 1/20 0.33
EHMT2 Q96KQ7 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NCOA1 Q15788 1/20 0.32

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
SCHEMBL16548435 0.81 LMNA (0.40) UTS2RDYRK1AMAPTSMN1; SMN2CRHR1
SCHEMBL14230025 0.79 KCNH2 (0.40) UTS2RDYRK1AMAPTSMN1; SMN2CRHR1
SCHEMBL14229881 0.79 UTS2R (0.37) UTS2RDYRK1AMAPTSMN1; SMN2CRHR1
SCHEMBL16544520 0.78 UTS2R (0.36) UTS2RDYRK1AMAPTSMN1; SMN2CRHR1
SCHEMBL16544497 0.76 UTS2R (0.41) UTS2RMAPTSMN1; SMN2CRHR1MEN1
SCHEMBL4995064 0.76 UTS2R (0.39) UTS2RMAPTSMN1; SMN2CRHR1LMNA
SCHEMBL14229179 0.76 UTS2R (0.39) UTS2RMAPTSMN1; SMN2CRHR1LMNA
SCHEMBL14229041 0.75 UTS2R (0.38) UTS2RMAPTSMN1; SMN2CRHR1LMNA
SCHEMBL14200180 0.73 UTS2R (0.38) UTS2RMAPTSMN1; SMN2CRHR1LMNA
SCHEMBL13403110 0.73 CRHR1 (0.40) DYRK1AMAPTSMN1; SMN2CRHR1MEN1

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
EP-3038622-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2018-05-30 EP disclosed