Sulfuric Acid

Sulfuric Acid

SCHEMBL7270900

CCCCCCN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(=N)N.O=S(=O)(O)O

nearest known ligand 0.52

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 6/20 0.44
OPRK1 known ✓ P41145 6/20 0.44
F2 P00734 3/20 0.52
PLG P00747 1/20 0.52
NMUR2 Q9GZQ4 5/20 0.46
NMUR1 Q9HB89 5/20 0.46
PRSS1 P07477 2/20 0.45
ACE P12821 2/20 0.42
ACE2 Q9BYF1 2/20 0.42
PRCP P42785 1/20 0.42
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41

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
Sulfuric Acid SCHEMBL7264554 0.94 F2 (0.54) F2PLGNMUR2NMUR1PRSS1
Sulfuric Acid SCHEMBL7265422 0.91 F2 (0.53) F2PLGNMUR2NMUR1PRSS1
Efegatran SCHEMBL7273879 0.91 F2 (0.56) F2PLGPRSS1OPRM1OPRK1
Efegatran SCHEMBL564291 0.91 F2 (0.56) F2PLGPRSS1OPRM1OPRK1
Efegatran SCHEMBL7264662 0.91 F2 (0.56) F2PLGPRSS1OPRM1OPRK1
Efegatran SCHEMBL1229047 0.90 F2 (0.55) F2PLGPRSS1OPRM1OPRK1
SCHEMBL7451955 0.88 F2 (0.55) F2PLGPRSS1OPRM1OPRK1
Hydrochloric Acid SCHEMBL7416347 0.88 F2 (0.52) F2PLGNMUR2NMUR1PRSS1
SCHEMBL7441266 0.88 F2 (0.53) F2PLGNMUR2NMUR1PRSS1
Hydrochloric Acid SCHEMBL7414559 0.88 F2 (0.54) F2PLGPRSS1OPRM1OPRK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185390-B1 TRIPEPTIDYL-ARGININALDEHYDE, PROCESS FOR ITS PREPARATION AND MEDICAMENTS THEREOF, AS WELL AS N-(MONOALKYL) AND N,N-DI-(ALKYL)-XXX-L-PROLINE DIPEPTIDE RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-10-02 EP claimed
US-4703036-A ANTICOAGULANTS RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1987-10-27 US claimed
EP-0185390-A2 Tripeptidyl-argininaldehyde, process for its preparation and medicaments thereof, as well as N-(monoalkyl) and N,N-di-(alkyl)-Xxx-L-proline dipeptide RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-06-25 EP claimed
EP-0185390-B1 TRIPEPTIDYL-ARGININALDEHYDE, PROCESS FOR ITS PREPARATION AND MEDICAMENTS THEREOF, AS WELL AS N-(MONOALKYL) AND N,N-DI-(ALKYL)-XXX-L-PROLINE DIPEPTIDE RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-10-02 EP disclosed
US-4703036-A ANTICOAGULANTS RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1987-10-27 US disclosed
EP-0185390-A2 Tripeptidyl-argininaldehyde, process for its preparation and medicaments thereof, as well as N-(monoalkyl) and N,N-di-(alkyl)-Xxx-L-proline dipeptide RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-06-25 EP disclosed