SCHEMBL3627261

SCHEMBL3627261

N#Cc1ccc(Oc2ccc(COc3ccc(F)cc3-c3ccnc(N4CCC(C(=O)O)CC4)n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.41
SCN9A Q15858 3/20 0.41
S1PR5 Q9H228 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
GUCY1B2 O75343 1/20 0.38
GUCY1A2 P33402 1/20 0.38
GUCY1A1 Q02108 1/20 0.38
GUCY1B1 Q02153 1/20 0.38
PTGER1 P34995 1/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
XDH P47989 1/20 0.37
APAF1 O14727 1/20 0.37

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
SCHEMBL4005456 0.88 SCN9A (0.47) F10SCN9AS1PR5KDM4EGUCY1B2
SCHEMBL3626258 0.84 GUCY1B2 (0.39) SCN9AKDM4EPOLBGUCY1B2GUCY1A2
SCHEMBL3627318 0.83 LIPE (0.46) F10SCN9ASMN1; SMN2NPSR1FFAR4
SCHEMBL3995969 0.80 SCN9A (0.54) F10SCN9AS1PR5GUCY1B2GUCY1A2
SCHEMBL3227166 0.79 SMN1; SMN2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PTGER1
SCHEMBL3998983 0.79 SCN9A (0.45) SCN9AS1PR5KDM4EGUCY1B2GUCY1A2
SCHEMBL4001140 0.77 SCN9A (0.49) F10SCN9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL3994172 0.76 SCN9A (0.44) F10SCN9AS1PR5KDM4EGUCY1B2
SCHEMBL4001501 0.76 SCN9A (0.47) F10SCN9AS1PR5GUCY1B2GUCY1A2
SCHEMBL3624902 0.76 KDM4E (0.42) SCN9AKDM4EPOLBGUCY1B2GUCY1A2

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
EP-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP claimed
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO claimed
EP-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP disclosed
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed