SCHEMBL4338476

SCHEMBL4338476

O=C(CN1CCCC1=NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.52
▸ RAB9A P51151 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALPL P05186 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ GFER P55789 1/20 0.39
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4338472 1.00 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL4333541 0.83 HTT (0.50) ALDH1A1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL4338959 0.83 HTT (0.50) ALDH1A1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL10418997 0.77 HTT (0.63) ALDH1A1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL4337912 0.76 RAB9A (0.71) ALDH1A1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL11671841 0.74 ALPL (0.70) ALDH1A1SMN1; SMN2MAPTALPLALPG
SCHEMBL14308019 0.69 ALDH1A1 (0.43) ALDH1A1MAPTHTTKDM4EKMT2A
SCHEMBL6327081 0.68 CHRM2 (0.64) ALDH1A1MAPTHTTALPLALPG
SCHEMBL6122964 0.68 TSHR (0.53) ALDH1A1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL6122960 0.68 TSHR (0.53) ALDH1A1RAB9ASMN1; SMN2MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1386912-B1 CYCLIC AMIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2009-03-18 — — EP claimed
EP-1386912-B1 CYCLIC AMIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2009-03-18 — — EP disclosed
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