SCHEMBL11064003

SCHEMBL11064003

O=C(O)CNc1ccccc1.O=S(=O)(O)c1ccc2ccccc2c1

nearest known ligand 0.60

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 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.60
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
CA4 P22748 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KAT6A Q92794 2/20 0.46
NSD2 O96028 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
CASP7 P55210 1/20 0.46
CASP6 P55212 1/20 0.46
PTPN11 Q06124 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL11114146 0.92 SNCA (0.55) SNCACA2CA12CA1CA9
SCHEMBL9194040 0.83 SNCA (0.50) SNCACA2CA12CA1CA9
SCHEMBL11028193 0.83 TSHR (0.57) SNCACA2CA12CA1CA9
SCHEMBL809030 0.81 ALDH1A1 (0.60) ALDH1A1NPC1MAPTRAB9ACYP1A2
Hydrochloric Acid SCHEMBL11060114 0.81 ALDH1A1 (0.60) ALDH1A1NPC1MAPTRAB9ACYP1A2
Bicarbonate SCHEMBL7292653 0.81 SNCA (0.64) SNCACA2ALDH1A1KAT6ALMNA
Hydrochloric Acid SCHEMBL3441755 0.81 SNCA (0.62) SNCACA2CA1CA9ALDH1A1
Hydrochloric Acid SCHEMBL30139547 0.81 SNCA (0.62) SNCACA2CA1CA9ALDH1A1
Propionic Acid SCHEMBL28042013 0.80 SNCA (0.55) SNCAALDH1A1KAT6ALMNAHTT
SCHEMBL11059512 0.80 ALDH1A1 (0.58) ALDH1A1NPC1MAPTRAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004740-B1 A PENICILLIN SALT, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT BEECHAM GROUP PLC (GB) 1982-01-20 EP claimed
EP-0004740-A2 A penicillin salt, process for its preparation and pharmaceutical compositions containing it BEECHAM GROUP PLC (GB) 1979-10-17 EP claimed
US-4481209-A TALAMPICILLIN NAPSYLATE BEECHAM GROUP LIMITED (GB) 1984-11-06 US disclosed
EP-0004740-B1 A PENICILLIN SALT, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT BEECHAM GROUP PLC (GB) 1982-01-20 EP disclosed
EP-0004740-A2 A penicillin salt, process for its preparation and pharmaceutical compositions containing it BEECHAM GROUP PLC (GB) 1979-10-17 EP disclosed