SCHEMBL9257907

SCHEMBL9257907

Nc1c2c(nc3cc(C4CC4)ccc13)CCCC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 19/20 0.65
BCHE P06276 10/20 0.65
CHRM1 P11229 2/20 0.65
EPHX2 P34913 1/20 0.65
GRIN1 Q05586 4/20 0.62
GRIN2A Q12879 4/20 0.62
ALDH1A1 P00352 2/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
KDM4E B2RXH2 1/20 0.57
CACNB4 O00305 1/20 0.57
CACNA1A O00555 1/20 0.57
SLC22A2 O15244 1/20 0.57
SLC22A1 O15245 1/20 0.57
ABCC4 O15439 1/20 0.57
CACNA1G O43497 1/20 0.57
CACNG3 O60359 1/20 0.57
CACNA1F O60840 1/20 0.57

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
SCHEMBL9248833 0.94 ACHE (0.62) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL9252551 0.89 ACHE (0.67) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL9248837 0.87 ACHE (0.65) ACHEBCHEGRIN1GRIN2A
SCHEMBL9255097 0.84 ACHE (0.65) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL9259735 0.83 ACHE (0.63) ACHEBCHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL9257228 0.82 ACHE (0.65) ACHEBCHEGRIN1GRIN2A
SCHEMBL9256012 0.81 MAPT (0.54) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL9255879 0.80 ACHE (0.48) ACHEBCHE
SCHEMBL4271238 0.79 ACHE (1.00) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL12043409 0.78 ACHE (1.00) ACHEBCHECHRM1EPHX2GRIN1

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