SCHEMBL5148167

SCHEMBL5148167

N#Cc1ccc(-c2ccc(CN3CCC(O)CC3)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.51
▸ HRH2 P25021 4/20 0.51
▸ HRH1 P35367 4/20 0.51
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PIN1 Q13526 1/20 0.44
▸ KCNH2 Q12809 2/20 0.41
▸ MCHR1 Q99705 2/20 0.41
▸ UTS2R Q9UKP6 1/20 0.40
▸ USP5 P45974 1/20 0.39
▸ USP14 P54578 1/20 0.39
▸ USP7 Q93009 1/20 0.39
▸ PDE4B Q07343 2/20 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
SCHEMBL14489610 0.80 MCHR1 (0.46) MEN1ALDH1A1KMT2ASMN1; SMN2KCNH2
SCHEMBL647375 0.76 HRH3 (0.57) HRH3HRH2HRH1MEN1ALDH1A1
SCHEMBL21776404 0.71 ABCB1 (0.41) HRH3HRH2HRH1MEN1ALDH1A1
SCHEMBL5484625 0.68 MMP3 (0.50) ALDH1A1KCNH2
SCHEMBL27969433 0.68 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2PIN1KCNH2
SCHEMBL8354514 0.67 MEN1 (0.49) HRH3MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3503161 0.66 MMP3 (0.48) ALDH1A1KCNH2
SCHEMBL12420832 0.66 ALDH1A1 (0.70) MEN1ALDH1A1KMT2ASMN1; SMN2KCNH2
SCHEMBL5444736 0.66 MAPT (0.55) MEN1ALDH1A1KMT2ASMN1; SMN2KCNH2
SCHEMBL5185511 0.66 HRH3 (0.44) HRH3HRH2HRH1KCNH2USP5

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-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 — — WO disclosed
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