SCHEMBL5805109

SCHEMBL5805109

CCN(CC)CCC(=O)NCCN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP2D6 P10635 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CA12 O43570 3/20 0.45
▸ CA9 Q16790 3/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ TERT O14746 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL84809 0.82 ALDH1A1 (0.55) MAPTALDH1A1KDM4ECYP2D6KMT2A
SCHEMBL84807 0.80 ALDH1A1 (0.58) MAPTALDH1A1KDM4ECYP2D6KMT2A
SCHEMBL13462681 0.79 ALDH1A1 (0.61) MAPTALDH1A1KDM4ECYP2D6KMT2A
SCHEMBL84386 0.78 CA12 (0.55) MAPTALDH1A1KDM4ECYP2D6KMT2A
SCHEMBL13661591 0.78 MAPT (0.70) MAPTALDH1A1KDM4ECYP2D6KMT2A
SCHEMBL20900504 0.78 KDM4E (0.57) MAPTALDH1A1KDM4ECYP2D6KMT2A
SCHEMBL13661579 0.78 ALDH1A1 (0.64) MAPTALDH1A1KDM4ECYP2D6KMT2A
Hydrochloric Acid SCHEMBL23722070 0.76 CA12 (0.53) ALDH1A1KDM4ECYP2D6KMT2AMEN1
SCHEMBL84849 0.76 ALDH1A1 (0.57) MAPTALDH1A1KDM4ECYP2D6KMT2A
SCHEMBL21998915 0.76 KDM4E (0.59) MAPTALDH1A1KDM4E

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-2006077387-A2 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-07-27 — — WO disclosed
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