SCHEMBL9583258

SCHEMBL9583258

Nc1c2c(nc3ccccc13)OCCC2O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 7/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ KCNH2 Q12809 2/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ NR3C1 P04150 1/20 0.59
▸ BCHE P06276 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.46
▸ GLA P06280 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ NQO2 P16083 1/20 0.46

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
SCHEMBL8781795 0.78 ACHE (0.62) ACHEALDH1A1KCNH2CYP1A2TSHR
SCHEMBL9585106 0.78 CTSD (0.39) ACHEALDH1A1KCNH2CYP1A2TSHR
Velnacrine SCHEMBL194467 0.75 CYP1A2 (1.00) ACHEALDH1A1KCNH2CYP1A2TSHR
SCHEMBL9584702 0.73 ACHE (0.82) ACHEALDH1A1KCNH2CYP1A2TSHR
SCHEMBL9215322 0.71 ACHE (1.00) ACHEALDH1A1KCNH2CYP1A2TSHR
SCHEMBL5083430 0.69 ACHE (0.66) ACHEALDH1A1KCNH2CYP1A2TSHR
SCHEMBL8781948 0.69 ACHE (0.62) ACHEALDH1A1KCNH2CYP1A2TSHR
Velnacrine SCHEMBL50846 0.68 TSHR (0.83) ACHEALDH1A1KCNH2CYP1A2TSHR
Velnacrine SCHEMBL637476 0.68 TSHR (0.83) ACHEALDH1A1KCNH2CYP1A2TSHR
Velnacrine SCHEMBL7193446 0.68 TSHR (0.83) ACHEALDH1A1KCNH2CYP1A2TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202440-A Certain 9-amino-2-(or 4)-oxa 1,2,3,4-tetrahydro- or 1,2,3,4,5,6,7,8-octahydro-acridines PFIZER INC. (US) 1993-04-13 — — US disclosed
EP-0311303-A2 4-aminopyridine derivatives PFIZER INC. (US) 1989-04-12 — — EP disclosed
WO-1989002740-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 — — WO disclosed
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