SCHEMBL3236174

SCHEMBL3236174

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.46
FFAR2 O15552 1/20 0.45
SCN9A Q15858 1/20 0.45
GUCY1B2 O75343 1/20 0.44
GUCY1A2 P33402 1/20 0.44
GUCY1A1 Q02108 1/20 0.44
GUCY1B1 Q02153 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
S1PR5 Q9H228 1/20 0.43
CCR5 P51681 1/20 0.43
LTA4H P09960 1/20 0.43
FAAH O00519 1/20 0.41
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL3230851 0.93 FFAR2 (0.50) SMN1; SMN2RAB9ANPC1FFAR2GUCY1B2
SCHEMBL3228778 0.92 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1FFAR2SCN9A
SCHEMBL3231934 0.92 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1GUCY1B2GUCY1A2
SCHEMBL3228934 0.89 L3MBTL1 (0.49) SMN1; SMN2RAB9ANPC1SCN9AGUCY1B2
SCHEMBL3233489 0.89 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1SCN9AGUCY1B2
SCHEMBL3233720 0.88 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1GUCY1B2GUCY1A2
SCHEMBL3229972 0.86 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1GUCY1B2GUCY1A2
SCHEMBL3235305 0.85 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1FFAR2GUCY1B2
SCHEMBL3238456 0.82 L3MBTL1 (0.51) SMN1; SMN2RAB9ANPC1GUCY1B2GUCY1A2
SCHEMBL3238419 0.82 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1FFAR2GUCY1B2

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