SCHEMBL3628358

SCHEMBL3628358

CCCOc1cc(-c2ccc(OC)cc2Cl)ccc1COc1ccc(C)cc1-c1ccnc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 7/20 0.41
GUCY1A2 P33402 7/20 0.41
GUCY1A1 Q02108 7/20 0.41
GUCY1B1 Q02153 7/20 0.41
KDM4E B2RXH2 3/20 0.36
NEK2 P51955 3/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
S1PR1 P21453 1/20 0.35
FFAR1 O14842 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL3628719 0.91 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3627416 0.90 S1PR1 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3627330 0.86 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1S1PR1
SCHEMBL3625821 0.84 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3627404 0.84 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3624888 0.82 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3626338 0.81 S1PR1 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3618939 0.78 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3627415 0.77 HCRTR1 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3624521 0.77 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E

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