SCHEMBL9584702

SCHEMBL9584702

Nc1c2c(nc3ccccc13)OCC2

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 15/20 0.82
▸ ALDH1A1 P00352 6/20 0.67
▸ CYP1A2 P05177 3/20 0.67
▸ BCHE P06276 6/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ TSHR P16473 3/20 0.53
▸ CHRM2 P08172 2/20 0.53
▸ ADRA2A P08913 2/20 0.53
▸ ADORA3 P0DMS8 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CHRM1 P11229 2/20 0.53
▸ SLC6A2 P23975 2/20 0.53
▸ OPRM1 P35372 2/20 0.53
▸ KCNH2 Q12809 2/20 0.53
▸ CACNB4 O00305 1/20 0.53
▸ CACNA1A O00555 1/20 0.53
▸ SLC22A2 O15244 1/20 0.53
▸ SLC22A1 O15245 1/20 0.53
▸ ABCC4 O15439 1/20 0.53

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
SCHEMBL9215322 0.90 ACHE (1.00) ACHEALDH1A1CYP1A2BCHEHSD17B10
SCHEMBL29120936 0.80 ALDH1A1 (1.00) ACHEALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL30632945 0.80 ALDH1A1 (1.00) ACHEALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL19407335 0.76 CYP1A2 (0.66) ACHEALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL9734944 0.75 ACHE (0.69) ACHEALDH1A1CYP1A2BCHEHSD17B10
SCHEMBL9735885 0.74 ACHE (0.62) ACHEALDH1A1CYP1A2BCHEHSD17B10
SCHEMBL9583756 0.74 ACHE (0.56) ACHEALDH1A1CYP1A2BCHEHSD17B10
SCHEMBL9165590 0.73 ACHE (0.53) ACHEALDH1A1CYP1A2BCHEHSD17B10
SCHEMBL9583258 0.73 ACHE (0.59) ACHEALDH1A1CYP1A2BCHEHSD17B10
SCHEMBL9167709 0.71 ACHE (0.62) ACHEALDH1A1CYP1A2BCHEHSD17B10

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 4 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-1989002739-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 — — WO disclosed
WO-1989002740-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 — — WO disclosed
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