SCHEMBL9108799

SCHEMBL9108799

Cc1ccc2c(NCc3ccccc3)c3c(nc2c1)C1CCC3C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.55
BCHE P06276 1/20 0.43
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
CTNNB1 P35222 2/20 0.40
TCF7L2 Q9NQB0 2/20 0.40
PDE10A Q9Y233 1/20 0.39
CHRM3 P20309 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL9108166 0.87 KMT2A (0.57) ACHEBCHEPOLBRAD52KMT2A
SCHEMBL9108456 0.86 TACR3 (0.51) ACHEBCHELMNARAB9ASMN1; SMN2
SCHEMBL9107713 0.84 ACHE (0.41) ACHEBCHEPOLBRAD52KMT2A
SCHEMBL9107725 0.81 ACHE (0.58) ACHEBCHEPOLBRAD52KMT2A
SCHEMBL9103472 0.80 KMT2A (0.60) ACHEBCHEPOLBRAD52KMT2A
SCHEMBL10468403 0.79 TACR3 (0.53) POLBRAD52KMT2ALMNARAB9A
SCHEMBL9352687 0.77 RAB9A (0.44) ACHEPOLBKMT2ALMNARAB9A
SCHEMBL12043394 0.75 BCHE (0.54) ACHEBCHEPOLBRAD52KMT2A
SCHEMBL9874509 0.75 ACHE (0.67) ACHE
SCHEMBL9109812 0.75 ACHE (0.56) ACHEBCHEPOLBRAD52KMT2A

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
US-5401749-A Memory enhancers, cholinergic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-03-28 US claimed
US-5401749-A Memory enhancers, cholinergic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-03-28 US disclosed