SCHEMBL9216711

SCHEMBL9216711

Nc1c2c(nc3ccccc13)CSCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.62
BCHE P06276 6/20 0.62
HSD17B10 Q99714 4/20 0.62
ALDH1A1 P00352 4/20 0.62
TSHR P16473 3/20 0.62
KDM4E B2RXH2 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 2/20 0.62
CHRM2 P08172 2/20 0.62
ADRA2A P08913 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
CHRM1 P11229 2/20 0.62
SLC6A2 P23975 2/20 0.62
OPRM1 P35372 2/20 0.62
KCNH2 Q12809 2/20 0.62
CACNB4 O00305 1/20 0.62
CACNA1A O00555 1/20 0.62
SLC22A2 O15244 1/20 0.62
SLC22A1 O15245 1/20 0.62
ABCC4 O15439 1/20 0.62

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
SCHEMBL9735057 0.91 ACHE (0.68) ACHEBCHEHSD17B10ALDH1A1TSHR
SCHEMBL9738344 0.89 ACHE (0.69) ACHEBCHEHSD17B10ALDH1A1TSHR
SCHEMBL4502500 0.88 ACHE (0.62) ACHEBCHEHSD17B10ALDH1A1TSHR
SCHEMBL9169155 0.85 ACHE (0.58) ACHEBCHEHSD17B10ALDH1A1TSHR
SCHEMBL9737406 0.82 ACHE (0.68) ACHEBCHEHSD17B10ALDH1A1TSHR
SCHEMBL10652421 0.81 ACHE (0.65) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL10653201 0.80 ACHE (0.66) ACHEBCHEGRIN1GRIN2A
SCHEMBL10654253 0.80 ACHE (0.66) ACHEBCHEHSD17B10ALDH1A1TSHR
SCHEMBL10652480 0.80 ACHE (0.66) ACHEBCHEHSD17B10ALDH1A1TSHR
SCHEMBL10653389 0.80 ACHE (0.66) ACHEBCHECHRM1GRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-0268871-A1 Quinoline derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1988-06-01 EP disclosed