SCHEMBL3627318

SCHEMBL3627318

O=C(O)C1CCN(c2nccc(-c3cc(F)ccc3OCc3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 8/20 0.46
MGLL Q99685 1/20 0.42
SCN9A Q15858 6/20 0.41
FFAR4 Q5NUL3 1/20 0.41
F10 P00742 2/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 1/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3627261 0.83 F10 (0.41) SCN9AFFAR4F10SMN1; SMN2NPSR1
SCHEMBL3999538 0.81 LIPE (0.52) LIPEMGLLSCN9AF10CYP3A4
SCHEMBL4003896 0.81 LIPE (0.45) LIPEMGLLSCN9ACYP3A4GAA
SCHEMBL4001501 0.81 SCN9A (0.47) SCN9AFFAR4F10
SCHEMBL3997170 0.78 MGLL (0.45) LIPEMGLLSCN9AFFAR4CYP3A4
SCHEMBL3995969 0.75 SCN9A (0.54) SCN9AF10
SCHEMBL3627113 0.74 GUCY1B2 (0.44) HTTSMN1; SMN2
SCHEMBL3624902 0.73 KDM4E (0.42) SCN9ANPSR1
SCHEMBL3628362 0.73 GUCY1B2 (0.42) SCN9AF10CYP2C19NPSR1
SCHEMBL4001140 0.73 SCN9A (0.49) SCN9AF10

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