SCHEMBL19110960

SCHEMBL19110960

Cc1ccc(OCc2ccc(CN3CC[S+]([O-])CC3)cc2C)c(-c2csc(N3CCC(C(=O)O)CC3C)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 19/20 0.43
GUCY1A2 P33402 19/20 0.43
GUCY1A1 Q02108 19/20 0.43
GUCY1B1 Q02153 19/20 0.43
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL19111053 0.94 CD274 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CD274
SCHEMBL19107528 0.94 S1PR1 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CD274
SCHEMBL19110944 0.93 CD274 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CD274
SCHEMBL14709366 0.91 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL19107915 0.91 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CD274
SCHEMBL19111274 0.91 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL19111611 0.91 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL14709311 0.90 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CD274
SCHEMBL19111635 0.90 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CD274
SCHEMBL19111847 0.85 GUCY1B2 (0.53) GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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-2766360-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INT (DE) 2017-07-12 EP disclosed