SCHEMBL3626338

SCHEMBL3626338

COc1ccc(-c2ccc(COc3ccc(C)cc3-c3ccnc(N4CCC(C(=O)O)CC4)n3)c(C)c2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.45
GUCY1B2 O75343 6/20 0.43
GUCY1A2 P33402 6/20 0.43
GUCY1A1 Q02108 6/20 0.43
GUCY1B1 Q02153 6/20 0.43
EPHX2 P34913 1/20 0.41
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
NEK2 P51955 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3624462 0.93 EPHX2 (0.40) S1PR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3627416 0.92 S1PR1 (0.41) S1PR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3628719 0.90 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3624888 0.89 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3998841 0.89 S1PR1 (0.48) S1PR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3629056 0.88 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3228941 0.87 GUCY1B2 (0.47) S1PR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3616728 0.87 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3620748 0.85 EIF4EBP1 (0.38) S1PR1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3627113 0.84 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ITGB2

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 6 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
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
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed