SCHEMBL8423957

SCHEMBL8423957

N#Cc1cccc(CN2CC[C@@H](CNS(=O)(=O)c3ccc(-c4ccccc4)c(F)c3)C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.42
DRD3 P35462 2/20 0.42
F10 P00742 5/20 0.41
DRD2 P14416 1/20 0.40
PARG Q86W56 2/20 0.40
ACLY P53396 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
THRB P10828 1/20 0.38
CCR9 P51686 1/20 0.38
KCNH2 Q12809 1/20 0.38
PLG P00747 1/20 0.37
PROC P04070 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2331634 0.87 F10 (0.56) F10PLGPROC
SCHEMBL2326821 0.86 F10 (0.51) F10PLGPROCALDH1A1
SCHEMBL8425655 0.82 F10 (0.46) DRD4DRD3F10DRD2KCNH2
SCHEMBL2330488 0.81 F10 (0.54) F10PLGPROC
SCHEMBL2328117 0.81 F10 (0.46) DRD4DRD3F10DRD2ROCK2
SCHEMBL2326558 0.80 HTR2C (0.45) DRD3F10DRD2PARGROCK2
SCHEMBL2329650 0.79 F10 (0.55) F10PLGPROC
SCHEMBL8622746 0.78 KCNH2 (0.40) DRD2PARGROCK2ROCK1KCNH2
SCHEMBL8423964 0.77 DRD4 (0.41) DRD4DRD3F10DRD2ROCK2
SCHEMBL2325190 0.76 F10 (0.68) F10THRBPLGPROC

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
US-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 US disclosed