SCHEMBL3228778

SCHEMBL3228778

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.48
SCN9A Q15858 2/20 0.47
GUCY1B2 O75343 1/20 0.45
GUCY1A2 P33402 1/20 0.45
GUCY1A1 Q02108 1/20 0.45
GUCY1B1 Q02153 1/20 0.45
S1PR5 Q9H228 1/20 0.43
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
AR P10275 1/20 0.40
FFAR2 O15552 1/20 0.40

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
SCHEMBL3235305 0.93 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2
SCHEMBL3231934 0.92 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2
SCHEMBL3236174 0.92 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1L3MBTL1SCN9A
SCHEMBL3228934 0.92 L3MBTL1 (0.49) SMN1; SMN2RAB9ANPC1L3MBTL1SCN9A
SCHEMBL3233489 0.90 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1L3MBTL1SCN9A
SCHEMBL3233720 0.88 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2
SCHEMBL3229972 0.87 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2
SCHEMBL3230851 0.85 FFAR2 (0.50) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2
SCHEMBL3238456 0.85 L3MBTL1 (0.51) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2
SCHEMBL3238419 0.83 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1L3MBTL1GUCY1B2

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