SCHEMBL7692182

SCHEMBL7692182

Cn1c(Cl)c(-c2cc(C(=O)NCC3CC3)c(Cl)cc2F)c(Cl)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CNR2 P34972 2/20 0.39
CACNA1I Q9P0X4 5/20 0.39
KCNH2 Q12809 3/20 0.39
PTGES O14684 1/20 0.38
CHRM1 P11229 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NTRK1 P04629 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
CNR1 P21554 1/20 0.37
RORC P51449 2/20 0.36
NR4A2 P43354 1/20 0.36
MAPK14 Q16539 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL7694992 0.84 ALDH1A1 (0.36) NPC1RAB9ANTRK1P2RX7
SCHEMBL7693655 0.83 HPGD (0.45) NPC1RAB9AMEN1KMT2A
SCHEMBL7690087 0.82 GAA (0.38) CHRM2CHRM4CHRM5CHRM3
SCHEMBL7693582 0.81 POLB (0.37) NPC1RAB9AP2RX7
SCHEMBL7695299 0.80 POLB (0.33)
SCHEMBL7692295 0.76 GAA (0.40) KMT2AP2RX7
SCHEMBL7690005 0.74 TACR1 (0.33)
SCHEMBL6940356 0.74 SCN9A (0.39)
SCHEMBL7694743 0.74 GAA (0.38) NPC1CHRM1CHRM2CHRM4CHRM5
SCHEMBL7693006 0.74 LRRK2 (0.35) NTRK1

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-2002070476-A1 PHENYLPYRROLES WITH A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2002-09-12 WO claimed