SCHEMBL9255540

SCHEMBL9255540

CCCCCCCCCCCCc1ccc2c(N)c3c(nc2c1)CCCC3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.60
BCHE P06276 7/20 0.59
GRIN1 Q05586 4/20 0.59
GRIN2A Q12879 4/20 0.59
CHRM1 P11229 2/20 0.58
EPHX2 P34913 1/20 0.58
KDM4E B2RXH2 1/20 0.51
CACNB4 O00305 1/20 0.51
CACNA1A O00555 1/20 0.51
SLC22A2 O15244 1/20 0.51
SLC22A1 O15245 1/20 0.51
ABCC4 O15439 1/20 0.51
CACNA1G O43497 1/20 0.51
CACNG3 O60359 1/20 0.51
CACNA1F O60840 1/20 0.51
CACNA1H O95180 1/20 0.51
ALDH1A1 P00352 1/20 0.51
APP P05067 1/20 0.51
CYP1A2 P05177 1/20 0.51
FABP1 P07148 1/20 0.51

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
SCHEMBL9260059 0.90 ACHE (0.60) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL9255193 0.90 ACHE (0.60) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL9255981 0.90 ACHE (0.60) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL9256157 0.90 ACHE (0.60) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL9255203 0.88 ACHE (0.56) ACHEALDH1A1
SCHEMBL9252885 0.80 MAPT (0.56) ACHEBCHEALDH1A1TSHR
SCHEMBL9256559 0.80 MAPT (0.56) ACHEBCHEALDH1A1TSHR
Hydrochloric Acid SCHEMBL9256019 0.79 MAPT (0.55) ACHEBCHE
SCHEMBL9252756 0.78 ACHE (0.51) ACHEBCHEALDH1A1TSHR
SCHEMBL10699056 0.76 ACHE (0.60) ACHEBCHE

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