SCHEMBL8425503

SCHEMBL8425503

CC(=O)N(CCc1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)c([C@@H]2CCN(Cc3cccc(C#N)c3)C2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.38
DRD3 P35462 2/20 0.38
F10 P00742 6/20 0.37
DRD2 P14416 1/20 0.36
MMP1 P03956 1/20 0.36
ADAM17 P78536 1/20 0.36
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
RORC P51449 1/20 0.35
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
PGGT1B P53609 2/20 0.34
PARG Q86W56 1/20 0.34
FAAH O00519 1/20 0.34
PLG P00747 1/20 0.34
PROC P04070 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL8423964 0.81 DRD4 (0.41) DRD4DRD3F10DRD2MMP1
SCHEMBL2331634 0.73 F10 (0.56) F10PLGPROC
SCHEMBL8423957 0.73 DRD4 (0.42) DRD4DRD3F10DRD2PARG
SCHEMBL8425655 0.71 F10 (0.46) DRD4DRD3F10DRD2FNTA
SCHEMBL2328117 0.70 F10 (0.46) DRD4DRD3F10DRD2FNTA
SCHEMBL8425505 0.69 F10 (0.45) F10ADAM17ADAMTS4MMP13
SCHEMBL2325190 0.69 F10 (0.68) F10PLGPROC
SCHEMBL2331913 0.69 CA1 (0.44) F10MMP1FNTAFNTBPGGT1B
SCHEMBL2332215 0.68 F10 (0.52) DRD4DRD3F10PLGPROC
SCHEMBL8423918 0.67 BDKRB1 (0.45) F10PLGPROC

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