SCHEMBL3719277

SCHEMBL3719277

CN(C)CCc1cc2[nH]cc(C(=O)O)c(=O)c2cc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
HTR2B P41595 2/20 0.46
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ADRB2 P07550 1/20 0.45
RECQL P46063 1/20 0.45
HTR1D P28221 4/20 0.44
HTR1B P28222 4/20 0.43
HTR1A P08908 3/20 0.43
SLC6A4 P31645 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MAOA P21397 1/20 0.42
ADRA1D P25100 1/20 0.42

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
SCHEMBL3725502 0.89 HTR2A (0.45) HTR2AHTR2CHTR2BKMT2AHTR1D
SCHEMBL1430296 0.85 GABRA1 (0.54) KMT2AMEN1HTR1DHTR1BHTR1A
SCHEMBL3646574 0.84 HTT (0.51) KDM4EKMT2AMEN1ADRB2RECQL
SCHEMBL4961480 0.83 HTT (0.48) KDM4EKMT2AMEN1HTTHPGD
SCHEMBL8913208 0.79 HTT (0.51) KDM4EKMT2AMEN1ADRB2RECQL
SCHEMBL4960045 0.78 KDM4E (0.49) KDM4EKMT2AMEN1ADRB2RECQL
SCHEMBL5238370 0.78 KDM4E (0.46) KDM4EKMT2AMEN1HTTHPGD
SCHEMBL5515830 0.73 KDM4E (0.52) KDM4EKMT2AMEN1HTTHPGD
SCHEMBL11022445 0.72 KDM4E (0.55) KDM4EKMT2AMEN1HTTHPGD
SCHEMBL1429717 0.72 KDM4E (0.45) KDM4EKMT2AMEN1HTTHPGD

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-2010142978-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-12-16 WO disclosed