SCHEMBL3620263

SCHEMBL3620263

CCOC(=O)C1CCN(c2nccc(-c3cc(C)ccc3OCc3ccc(-c4ccc(C(F)(F)F)cc4C)cc3C)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 2/20 0.41
GUCY1A2 P33402 2/20 0.41
GUCY1A1 Q02108 2/20 0.41
GUCY1B1 Q02153 2/20 0.41
SYK P43405 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.37
PTPN11 Q06124 1/20 0.36
PDK2 Q15119 1/20 0.36
MTOR P42345 1/20 0.35

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
SCHEMBL3629056 0.92 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SYK
SCHEMBL3624462 0.89 EPHX2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3622541 0.88 KDM4E (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SYK
SCHEMBL3628788 0.87 KMT2A (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SYK
SCHEMBL3626707 0.85 MEN1 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3627113 0.84 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SYK
SCHEMBL3236783 0.82 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3627126 0.82 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SYK
SCHEMBL3236272 0.81 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3620748 0.81 EIF4EBP1 (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SYK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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