SCHEMBL3228934

SCHEMBL3228934

O=C(O)C1CCN(c2nc(-c3ccccc3OCc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)cs2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 6/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
FAAH O00519 1/20 0.43
GUCY1B2 O75343 1/20 0.43
GUCY1A2 P33402 1/20 0.43
GUCY1A1 Q02108 1/20 0.43
GUCY1B1 Q02153 1/20 0.43
F10 P00742 1/20 0.42
SLC6A5 Q9Y345 1/20 0.40
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
PSEN1 P49768 1/20 0.39
SCN9A Q15858 1/20 0.39
LTA4H P09960 1/20 0.39
LIPE Q05469 1/20 0.39

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
SCHEMBL3238456 0.94 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2RAB9ANPC1FAAH
SCHEMBL3228778 0.92 SMN1; SMN2 (0.51) L3MBTL1SMN1; SMN2RAB9ANPC1GUCY1B2
SCHEMBL3236174 0.89 SMN1; SMN2 (0.46) L3MBTL1SMN1; SMN2RAB9ANPC1FAAH
SCHEMBL3231934 0.89 SMN1; SMN2 (0.52) L3MBTL1SMN1; SMN2RAB9ANPC1GUCY1B2
SCHEMBL3233489 0.87 SMN1; SMN2 (0.44) L3MBTL1SMN1; SMN2RAB9ANPC1FAAH
SCHEMBL3233720 0.85 SMN1; SMN2 (0.51) L3MBTL1SMN1; SMN2RAB9ANPC1GUCY1B2
SCHEMBL3235305 0.85 SMN1; SMN2 (0.54) L3MBTL1SMN1; SMN2RAB9ANPC1GUCY1B2
SCHEMBL3229972 0.84 SMN1; SMN2 (0.56) L3MBTL1SMN1; SMN2RAB9ANPC1GUCY1B2
SCHEMBL3230851 0.82 FFAR2 (0.50) L3MBTL1SMN1; SMN2RAB9ANPC1GUCY1B2
SCHEMBL3231536 0.82 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2RAB9ANPC1GUCY1B2

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-2010015652-A2 THIAZOLE COMPOUNDS 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-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed