SCHEMBL3628362

SCHEMBL3628362

Cc1cc(-c2ccc(F)cc2)ccc1COc1ccc(F)cc1-c1ccnc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 3/20 0.42
GUCY1A2 P33402 3/20 0.42
GUCY1A1 Q02108 3/20 0.42
GUCY1B1 Q02153 3/20 0.42
KDM4E B2RXH2 4/20 0.42
POLB P06746 1/20 0.42
SCN9A Q15858 2/20 0.39
CD274 Q9NZQ7 1/20 0.38
F10 P00742 1/20 0.38
SSTR5 P35346 1/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NEK2 P51955 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP2C19 P33261 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL3624902 0.95 KDM4E (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3626258 0.93 GUCY1B2 (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3997130 0.87 SCN9A (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SCN9A
SCHEMBL3624888 0.87 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3627858 0.86 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3627146 0.86 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3616728 0.86 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3628181 0.85 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3618939 0.85 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3624884 0.84 GUCY1B2 (0.44) 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