SCHEMBL8425359

SCHEMBL8425359

CN[C@H]1CCN(Cc2cccc(C#N)c2)C1=O.O=S(=O)(O)c1ccc2ccccc2c1

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

OPRM1

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.54
PLG P00747 2/20 0.54
PROC P04070 2/20 0.54
F2 P00734 8/20 0.47
PRSS1 P07477 1/20 0.47

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
SCHEMBL8423785 0.92 F10 (0.59) F10PLGPROCF2PRSS1
SCHEMBL8425641 0.91 F10 (0.58) F10PLGPROCF2PRSS1
SCHEMBL2330450 0.86 F10 (0.69) F10PLGPROCF2PRSS1
SCHEMBL7424685 0.86 FNTA (0.49) F10
SCHEMBL8425655 0.85 F10 (0.46) F10PLGPROCF2
SCHEMBL8425668 0.83 FNTA (0.41) F10PLGPROCF2
SCHEMBL2328900 0.81 F10 (0.70) F10PLGPROCF2PRSS1
SCHEMBL8427867 0.80 FNTA (0.44) F10PLGPROCF2PRSS1
SCHEMBL2328991 0.80 F10 (0.71) F10PLGPROCF2PRSS1
SCHEMBL2326662 0.79 F10 (0.72) F10PLGPROCF2PRSS1

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