SCHEMBL8425655

SCHEMBL8425655

CN[C@H]1CCN(Cc2cccc(C#N)c2)C1=O.O=S(=O)(O)c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.46
DRD4 P21917 3/20 0.42
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.41
F2 P00734 3/20 0.40
PLG P00747 1/20 0.40
PROC P04070 1/20 0.40
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
PGGT1B P53609 3/20 0.40
KCNH2 Q12809 2/20 0.40
CYP3A4 P08684 1/20 0.40

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) F10F2PLGPROC
SCHEMBL8425359 0.85 F10 (0.54) F10F2PLGPROC
SCHEMBL7424685 0.82 FNTA (0.49) F10DRD4DRD3DRD2FNTA
SCHEMBL8423957 0.82 DRD4 (0.42) F10DRD4DRD3DRD2PLG
SCHEMBL8425641 0.81 F10 (0.58) F10F2PLGPROC
SCHEMBL2328117 0.81 F10 (0.46) F10DRD4DRD3DRD2F2
SCHEMBL8425668 0.80 FNTA (0.41) F10DRD3DRD2F2PLG
SCHEMBL8423785 0.80 F10 (0.59) F10F2PLGPROC
SCHEMBL2325190 0.78 F10 (0.68) F10F2PLGPROC
SCHEMBL8427867 0.77 FNTA (0.44) F10F2PLGPROCFNTA

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