SCHEMBL326955

SCHEMBL326955

NC(=NCC(=O)O)c1nn(CCC(F)(F)C(F)(F)F)c2ncc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 11/20 0.39
GUCY1B1 Q02153 11/20 0.39
HTR3A P46098 1/20 0.30

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
SCHEMBL13733845 0.84 GUCY1A1 (0.43) GUCY1A1GUCY1B1HTR3A
Acetic Acid SCHEMBL15065428 0.82 GUCY1A1 (0.43) GUCY1A1GUCY1B1HTR3A
SCHEMBL19244706 0.82 GRIN1 (0.34) GUCY1A1GUCY1B1
SCHEMBL10071130 0.81 GUCY1A1 (0.39) GUCY1A1GUCY1B1
SCHEMBL17685043 0.80 RET (0.39)
SCHEMBL19244697 0.79 PDE5A (0.33) GUCY1A1GUCY1B1
SCHEMBL19244698 0.79 GRIN1 (0.34) GUCY1A1GUCY1B1
SCHEMBL15519699 0.78 PDE5A (0.34) GUCY1A1GUCY1B1
SCHEMBL19244708 0.78 PDE5A (0.36) GUCY1A1GUCY1B1
SCHEMBL19244701 0.78 PTGDR2 (0.40) GUCY1A1GUCY1B1

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-2699578-B1 FLUOROALKYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF BAYER IP GMBH (DE) 2016-04-20 EP disclosed
EP-2590987-B1 CONDENSED 4-AMINOPYRIMIDINES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER IP GMBH (DE) 2016-03-09 EP disclosed
EP-2699578-A1 FLUOROALKYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-02-26 EP disclosed
EP-2590987-A1 RING-FUSED 4 -AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES Bayer Intellectual Property GmbH (DE) 2013-05-15 EP disclosed
WO-2012143510-A1 FLUOROALKYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012004259-A1 RING-FUSED 4 -AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-12 WO disclosed