SCHEMBL7066698

SCHEMBL7066698

N#Cc1ccc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.52
DRD3 P35462 8/20 0.52
DRD2 P14416 7/20 0.50
CHRNA7 P36544 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
HTR1A P08908 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
AOC3 Q16853 1/20 0.42
ADORA1 P30542 1/20 0.42
PARP1 P09874 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
SCHEMBL7066700 0.83 DRD4 (0.54) DRD4DRD3DRD2HTR1AALDH1A1
SCHEMBL7068726 0.80 DRD2 (0.69) DRD4DRD3DRD2HTR1APOLB
SCHEMBL6701277 0.79 DRD2 (0.66) DRD4DRD3DRD2CHRNA7CHRNA10
SCHEMBL6694937 0.76 ITGB3 (0.56) HTR2AHTR2CHTR2BPOLBITGB3
SCHEMBL7253167 0.76 MEN1 (0.51) CHRNA7CHRNA10CHRNA9HTR2AHTR2C
Hydrochloric Acid SCHEMBL6700195 0.75 ITGB3 (0.55) HTR2AHTR2CHTR2BPOLBITGB3
SCHEMBL2744427 0.75 HTR2A (0.69) DRD4HTR2AHTR2CHTR2BITGB3
SCHEMBL7066632 0.75 MEN1 (0.46) CHRNA7CHRNA10CHRNA9HTR2AHTR2C
Hydrochloric Acid SCHEMBL9742137 0.74 HTR2A (0.67) DRD4HTR2AHTR2CHTR2BITGB3
SCHEMBL26816573 0.73 KDM4E (0.56) HTR2AHTR2CHTR2BMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003047575-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO claimed
WO-2003047575-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO disclosed
WO-2003048121-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO disclosed