SCHEMBL20417232

SCHEMBL20417232

O=Cc1cc(I)c2c(n1)OCCO2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 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
SCHEMBL20417234 0.79 GRM5 (0.30) GRM5
SCHEMBL20417288 0.70
SCHEMBL20417022 0.69 NOTUM (0.31)
SCHEMBL1266325 0.66 CCR1 (0.42) GRM5
SCHEMBL29955719 0.66 CCR1 (0.42) GRM5
SCHEMBL20417289 0.64
SCHEMBL578603 0.62 KCNJ1 (0.32)
SCHEMBL16202953 0.61 CCR1 (0.39)
SCHEMBL20417141 0.61
SCHEMBL23377594 0.61 CCR1 (0.41) GRM5

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
WO-2018133793-A1 BLOOD COAGULATION FACTOR XIA INHIBITOR AND USES THEREOF 广东东阳光药业有限公司 2018-07-26 WO disclosed