SCHEMBL7066632

SCHEMBL7066632

N#Cc1ccc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)o1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
GFER P55789 1/20 0.42
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
ADORA1 P30542 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
POLB P06746 1/20 0.41
AOC3 Q16853 1/20 0.40

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
SCHEMBL7066635 0.84 MAPT (0.48) MEN1ALDH1A1HTTKMT2AGFER
SCHEMBL7254034 0.81 GFER (0.65) MEN1ALDH1A1HTTKMT2AGFER
SCHEMBL7253167 0.75 MEN1 (0.51) MEN1ALDH1A1HTTKMT2AITGB3
SCHEMBL6695190 0.75 ALDH1A1 (0.50) MEN1ALDH1A1HTTKMT2ACHRNA7
SCHEMBL7066698 0.75 DRD4 (0.52) MEN1ALDH1A1HTTKMT2AITGB3
SCHEMBL21258355 0.73 ALOX5 (0.42) MEN1ALDH1A1KMT2A
SCHEMBL6694937 0.73 ITGB3 (0.56) ITGB3ITGA2BHTR2AHTR2CHTR2B
SCHEMBL7068726 0.72 DRD2 (0.69) MEN1ALDH1A1HTTKMT2AADORA1
Hydrochloric Acid SCHEMBL6700195 0.72 ITGB3 (0.55) ITGB3ITGA2BHTR2AHTR2CHTR2B
SCHEMBL2744427 0.71 HTR2A (0.69) ITGB3ITGA2BHTR2AHTR2CHTR2B

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 4 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-2003048121-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