SCHEMBL27723972

SCHEMBL27723972

CCc1c(N)cc(Cl)c(CC)c1NC(=O)N(CCc1ccc(Cl)cc1)c1ccc(OC)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
CNR1 P21554 1/20 0.34
CDK8 P49336 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
CCR3 P51677 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
DNMT3A Q9Y6K1 1/20 0.32

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
SCHEMBL27703383 0.85 CNR1 (0.39) NPSR1CNR1CDK8CLK4GAA
SCHEMBL27723968 0.80 EPHX2 (0.37) CNR1GAALMNAMEN1KMT2A
SCHEMBL4592614 0.79 MAPT (0.38) NPSR1GAALMNAMEN1KMT2A
SCHEMBL27703395 0.78 CNR1 (0.42) CNR1LMNAALDH1A1
SCHEMBL27703382 0.78 MAPT (0.31) NPSR1CNR1MAPT
SCHEMBL4591787 0.78 QPCT (0.47) NPSR1CNR1GAALMNAMEN1
SCHEMBL4592356 0.77 EPHX2 (0.34) CNR1GAAALDH1A1
SCHEMBL27703386 0.77 CYP3A4 (0.38) CNR1GAAMEN1KMT2AALDH1A1
SCHEMBL4593111 0.77 QPCT (0.37) NPSR1GAALMNAMEN1KMT2A
SCHEMBL27703435 0.77 CHRM5 (0.36) CNR1MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN claimed
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN disclosed