SCHEMBL9258833

SCHEMBL9258833

CCc1ccc2nc3c(c(N)c2c1)CCCC3

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 19/20 0.69
BCHE P06276 15/20 0.68
GRIN1 Q05586 14/20 0.68
GRIN2A Q12879 14/20 0.68
CHRM1 P11229 1/20 0.64
ALDH1A1 P00352 1/20 0.64
POLB P06746 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64

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
SCHEMBL9255981 0.84 ACHE (0.60) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL9256157 0.84 ACHE (0.60) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL9255193 0.84 ACHE (0.60) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL9260059 0.84 ACHE (0.60) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL9748090 0.83 ACHE (0.65) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL5990879 0.81 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL29817805 0.81 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
SCHEMBL21938740 0.80 ACHE (0.68) ACHEBCHEGRIN1GRIN2ACHRM1
Hydrochloric Acid SCHEMBL29817798 0.79 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
SCHEMBL8018131 0.79 ACHE (1.00) ACHEBCHEGRIN1GRIN2A

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
US-5391553-A Increasing cholinergic functionin mammals HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-02-21 US disclosed