SCHEMBL5683449

SCHEMBL5683449

N#Cc1ccc(OCCCCC(N)CSSCC(N)CCCCOc2ccc(C#N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.44
MMP2 P08253 2/20 0.42
MMP3 P08254 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HRH2 P25021 7/20 0.40
HRH1 P35367 7/20 0.40
MAOB P27338 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
Hydrochloric Acid SCHEMBL7624822 0.98 HRH3 (0.43) HRH3MMP2MMP3MAPTALDH1A1
SCHEMBL5681317 0.83 HRH3 (0.46) HRH3MMP2MMP3MAPTALDH1A1
Hydrochloric Acid SCHEMBL7616382 0.82 HRH3 (0.44) HRH3MMP2MMP3MAPTALDH1A1
Hydrochloric Acid SCHEMBL5681290 0.82 HRH3 (0.44) HRH3MMP2MMP3MAPTALDH1A1
Hydrochloric Acid SCHEMBL5681304 0.82 HRH3 (0.44) HRH3MMP2MMP3MAPTALDH1A1
SCHEMBL5682901 0.82 HRH3 (0.48) HRH3MMP2MMP3MAPTALDH1A1
SCHEMBL5678787 0.81 ALDH1A1 (0.47) MAPTALDH1A1KDM4E
SCHEMBL5679251 0.81 KCNA3 (0.55) ALDH1A1HDAC1HDAC2
SCHEMBL5681083 0.81 KCNA3 (0.55) ALDH1A1HDAC1HDAC2
Hydrochloric Acid SCHEMBL7617352 0.81 HRH3 (0.47) HRH3MMP2MMP3MAPTALDH1A1

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-1144348-B1 LTA 4 HYDROLASE INHIBITORS BIOPROJET SOC CIV (FR) 2006-02-08 EP claimed