Pyrophosphoric Acid

Pyrophosphoric Acid

SCHEMBL4387591

NC(=O)C1CCN(Cc2ccc(C(=O)CNCCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)CC1.O=P(O)(O)OP(=O)(O)O

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.68
CHRM3 P20309 19/20 0.53

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
SCHEMBL356481 0.95 CHRM2 (0.74) CHRM2CHRM3
SCHEMBL1303942 0.88 CHRM2 (0.73) CHRM2CHRM3
SCHEMBL942864 0.87 CHRM2 (0.63) CHRM2CHRM3
Revefenacin SCHEMBL4387593 0.87 CHRM2 (0.90) CHRM2CHRM3
SCHEMBL942924 0.87 CHRM2 (0.61) CHRM2CHRM3
SCHEMBL1302814 0.86 CHRM2 (0.64) CHRM2CHRM3
SCHEMBL1304070 0.86 CHRM2 (0.70) CHRM2CHRM3
SCHEMBL943030 0.86 CHRM2 (0.68) CHRM2CHRM3
SCHEMBL943529 0.86 CHRM2 (0.61) CHRM2CHRM3
SCHEMBL1304882 0.86 CHRM2 (0.74) CHRM2CHRM3

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
EP-1856050-B1 CRYSTALLINE FORMS OF A BIPHENYL COMPOUND THERAVANCE INC (US) 2009-11-25 EP claimed