SCHEMBL18335015

SCHEMBL18335015

CO[C@H]1CC[C@H](c2ccc(COc3ccccc3-c3cccc(-n4ncc(OC(=O)O)c4C(F)(F)F)n3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 19/20 0.45
GUCY1B1 Q02153 19/20 0.45
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 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
SCHEMBL18335039 1.00 GUCY1A1 (0.45) GUCY1A1GUCY1B1KDM5AKDM4CKDM5B
SCHEMBL1780526 0.91 GUCY1A1 (0.55) GUCY1A1GUCY1B1
SCHEMBL1781024 0.91 GUCY1A1 (0.55) GUCY1A1GUCY1B1
SCHEMBL1780525 0.91 GUCY1A1 (0.55) GUCY1A1GUCY1B1
SCHEMBL12603768 0.91 GUCY1A1 (0.55) GUCY1A1GUCY1B1
SCHEMBL18335005 0.90 GUCY1A1 (0.46) GUCY1A1GUCY1B1
SCHEMBL18335019 0.89 GUCY1A1 (0.45) GUCY1A1GUCY1B1
SCHEMBL18044301 0.88 GUCY1A1 (0.53) GUCY1A1GUCY1B1
SCHEMBL18335033 0.86 GUCY1A1 (0.41) GUCY1A1GUCY1B1
SCHEMBL18335023 0.86 GUCY1A1 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP claimed