SCHEMBL13356232

SCHEMBL13356232

Cc1ccc2c(c1)[C@H]1CC(C)(N)CCC[C@@H]1N2Cc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL8035192 0.90 HRH3 (0.35) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL14216399 0.90 HRH3 (0.35) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL13356207 0.89 ALDH1A1 (0.50) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL13356274 0.89 ALDH1A1 (0.50) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL13862077 0.89 ALDH1A1 (0.50) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL13356272 0.88 ALDH1A1 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL8038336 0.88 ALDH1A1 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL13356265 0.84 SMN1; SMN2 (0.41) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL13356270 0.83 ALDH1A1 (0.36) KDM4EALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL14216279 0.81 HRH3 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2GAA

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-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 EP disclosed
WO-2008060190-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-05-22 WO disclosed