SCHEMBL172876

SCHEMBL172876

Cc1cccc(N2CCN(c3ccc(N4CCN(C)CC4)cc3)C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
BCL2A1 Q16548 1/20 0.52
ADRA2C P18825 2/20 0.50
KCNH2 Q12809 3/20 0.48
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
PTK2B Q14289 1/20 0.46
ESR2 Q92731 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ADRB1 P08588 1/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RAD52 P43351 1/20 0.44

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
SCHEMBL133381 0.81 ALDH1A1 (0.54) ADRA2CKMT2AALDH1A1KDM4EGAA
SCHEMBL7924167 0.81 KCNH2 (0.67) BCL2A1ADRA2CKCNH2ALDH1A1KDM4E
SCHEMBL12534408 0.80 ALDH1A1 (0.44) DRD2DRD3ADRA2CKCNH2KMT2A
SCHEMBL8256209 0.79 DRD2 (0.59) DRD2DRD3KCNH2KMT2AMEN1
SCHEMBL14733342 0.78 KMT2A (0.51) DRD2DRD3ADRA2CKCNH2KMT2A
SCHEMBL12879707 0.76 L3MBTL1 (0.51) DRD2DRD3BCL2A1MAPTHSD17B10
SCHEMBL17144424 0.75 KCNH2 (0.59) BCL2A1ADRA2CKCNH2ALDH1A1MAPT
SCHEMBL25575682 0.75 L3MBTL1 (0.54) DRD2DRD3ALDH1A1KDM4EMAPT
SCHEMBL24061151 0.74 MAPKAPK2 (0.58) ADRA2CKCNH2KMT2AALDH1A1KDM4E
SCHEMBL13006962 0.74 ALDH1A1 (0.56) DRD2DRD3KMT2AALDH1A1KDM4E

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-1542667-B1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2012-03-07 EP disclosed