SCHEMBL8048418

SCHEMBL8048418

CCC(C)(NC(=O)c1cc(N)cc(Cl)c1)C(=O)CCl

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 7/20 0.37
CYP2D6 P10635 7/20 0.37
KCNH2 Q12809 6/20 0.37
GRN P28799 3/20 0.36
SORT1 Q99523 3/20 0.36
ANO1 Q5XXA6 2/20 0.34
FABP4 P15090 1/20 0.34
DDR1 Q08345 2/20 0.34
CACNA1I Q9P0X4 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33

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
SCHEMBL7530423 0.90 GRN (0.43) CACNA1HCYP2D6KCNH2GRNSORT1
SCHEMBL8048361 0.87 POLB (0.36) ANO1
SCHEMBL7527475 0.84 HSD11B1 (0.38) CYP2D6ANO1
SCHEMBL7684116 0.83 ALDH1A1 (0.50) ANO1
SCHEMBL8063598 0.83 ANO1 (0.34) ANO1DDR1
SCHEMBL8058977 0.82 ALDH1A1 (0.51)
SCHEMBL8048655 0.81 HTT (0.33) ANO1
SCHEMBL8080782 0.81 DDR1 (0.41) CACNA1HCYP2D6KCNH2GRNSORT1
SCHEMBL8065593 0.81 ESRRG (0.45)
SCHEMBL8065523 0.81 KDM4E (0.35) CYP2D6GRNSORT1ANO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816331-B1 Fungicidally active n-acetonylbenzamide compounds ROHM & HAAS (US) 2000-05-24 EP disclosed
US-5929098-A Fungicidically active N-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1999-07-27 US disclosed
EP-0816331-A1 Fungicidally active n-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed