SCHEMBL9215322

SCHEMBL9215322

Nc1c2c(nc3ccccc13)OCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 16/20 1.00
▸ BCHE P06276 6/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ CYP1A2 P05177 3/20 0.58
▸ TSHR P16473 3/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ CACNB4 O00305 1/20 0.58
▸ CACNA1A O00555 1/20 0.58
▸ SLC22A2 O15244 1/20 0.58
▸ SLC22A1 O15245 1/20 0.58
▸ ABCC4 O15439 1/20 0.58
▸ CACNA1G O43497 1/20 0.58
▸ CACNG3 O60359 1/20 0.58
▸ CACNA1F O60840 1/20 0.58
▸ CACNA1H O95180 1/20 0.58
▸ APP P05067 1/20 0.58
▸ FABP1 P07148 1/20 0.58
▸ CHRM2 P08172 1/20 0.58

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
SCHEMBL9584702 0.90 ACHE (0.82) ACHEBCHEALDH1A1CYP1A2TSHR
SCHEMBL9584331 0.81 ACHE (1.00) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL9583737 0.78 ACHE (1.00) ACHEBCHEALDH1A1CYP1A2GRIN1
SCHEMBL9584489 0.77 ACHE (0.63) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL9211409 0.77 ACHE (1.00) ACHEBCHEGRIN1GRIN2A
SCHEMBL21938740 0.76 ACHE (0.68) ACHEBCHEALDH1A1TSHRKDM4E
SCHEMBL17992251 0.76 ACHE (0.68) ACHEBCHEGRIN1GRIN2A
SCHEMBL9735659 0.76 ACHE (0.68) ACHEBCHEALDH1A1CYP1A2TSHR
SCHEMBL9169032 0.75 ACHE (0.60) ACHEBCHEALDH1A1CYP1A2TSHR
SCHEMBL15647372 0.74 ACHE (0.59) ACHEBCHEALDH1A1CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1989002740-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 — — WO claimed
WO-1989002739-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 — — WO claimed
EP-0311303-B1 4-aminopyridine derivatives PFIZER (US) 1995-05-24 — — EP disclosed
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
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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