SCHEMBL9870494

SCHEMBL9870494

CCC(Oc1cccc2nc3c(c(N)c12)CCCCC3)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 15/20 0.60
▸ BCHE P06276 9/20 0.53
▸ GRIN1 Q05586 8/20 0.53
▸ GRIN2A Q12879 8/20 0.53
▸ ALDH1A1 P00352 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ CACNB4 O00305 3/20 0.43
▸ CACNA1A O00555 3/20 0.43
▸ CACNA1G O43497 3/20 0.43
▸ CACNG3 O60359 3/20 0.43
▸ CACNA1F O60840 3/20 0.43
▸ CACNA1H O95180 3/20 0.43
▸ CACNB3 P54284 3/20 0.43
▸ CACNA2D1 P54289 3/20 0.43
▸ CACNG7 P62955 3/20 0.43
▸ CACNA1B Q00975 3/20 0.43
▸ CACNA1D Q01668 3/20 0.43
▸ CACNB1 Q02641 3/20 0.43
▸ CACNG1 Q06432 3/20 0.43
▸ CACNB2 Q08289 3/20 0.43

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
SCHEMBL9870090 0.99 ACHE (0.61) ACHEBCHEGRIN1GRIN2AALDH1A1
SCHEMBL9738570 0.89 ACHE (0.58) ACHEBCHEGRIN1GRIN2ACACNB4
Water SCHEMBL9043013 0.88 ACHE (0.57) ACHEBCHEGRIN1GRIN2ACACNB4
Water SCHEMBL9830096 0.85 ACHE (0.65) ACHEBCHEGRIN1GRIN2AALDH1A1
SCHEMBL9739247 0.80 ACHE (0.67) ACHEBCHEGRIN1GRIN2AALDH1A1
SCHEMBL9040699 0.79 ACHE (0.62) ACHEBCHEGRIN1GRIN2AALDH1A1
Water SCHEMBL9040201 0.79 ACHE (0.65) ACHEBCHEGRIN1GRIN2AALDH1A1
SCHEMBL9042257 0.78 ACHE (0.64) ACHEBCHEGRIN1GRIN2AALDH1A1
SCHEMBL9738826 0.78 ACHE (0.60) ACHEBCHEGRIN1GRIN2AALDH1A1
Water SCHEMBL9039788 0.77 ACHE (0.59) ACHEBCHEGRIN1GRIN2AALDH1A1

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-4994452-A Memory disfunction HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-02-19 — — US disclosed
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