SCHEMBL24799682

SCHEMBL24799682

C=C(NC1(C)CCC1)c1cc(NC)ccn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 15/20 0.42
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
CBLB Q13191 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
SCHEMBL24799922 0.97 ANO1 (0.42) ANO1GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL24799373 0.83 ANO1 (0.57) ANO1
SCHEMBL24799622 0.71 ANO1 (0.60) ANO1
SCHEMBL25906166 0.71 GRIN2D (0.34) ANO1GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL24799646 0.68 ANO1 (0.46) ANO1
SCHEMBL17076844 0.67 APP (0.43) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL883721 0.67 L3MBTL1 (0.45)
SCHEMBL1251612 0.65 KDM4E (0.55) CBLB
SCHEMBL21198458 0.65 ANO1 (0.50) ANO1
SCHEMBL31306560 0.65 ANO1 (0.50) ANO1

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-3743406-B1 TMEM16A MODULATORS TMEM16A LTD (GB) 2022-12-28 EP disclosed