SCHEMBL19687524

SCHEMBL19687524

C=CCC1(F)CCC(Nc2cc(C#N)cc(-n3nc(C)cc3C)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 1/20 0.40
KCNN3 Q9UGI6 1/20 0.40
SLC34A1 Q06495 15/20 0.35
ADORA1 P30542 2/20 0.32
ADORA2A P29274 2/20 0.31

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
SCHEMBL31127312 0.86 KCNN2 (0.46) KCNN2KCNN3SLC34A1
SCHEMBL19686941 0.86 KCNN2 (0.46) KCNN2KCNN3SLC34A1
SCHEMBL31127324 0.80 KCNN2 (0.42) KCNN2KCNN3SLC34A1ADORA2A
SCHEMBL21166179 0.80 KCNN2 (0.42) KCNN2KCNN3SLC34A1ADORA2A
SCHEMBL21166129 0.75 KCNN2 (0.39) KCNN2KCNN3SLC34A1ADORA1ADORA2A
SCHEMBL19686284 0.73 KCNN2 (0.49) KCNN2KCNN3
SCHEMBL19686887 0.73 KCNN2 (0.48) KCNN2KCNN3ADORA1ADORA2A
SCHEMBL19686300 0.72 KCNN2 (0.46) KCNN2KCNN3SLC34A1
SCHEMBL19687319 0.72 KCNN2 (0.46) KCNN2KCNN3ADORA1ADORA2A
SCHEMBL19686732 0.72 KCNN3 (0.47) KCNN2KCNN3SLC34A1

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-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed