Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6978426

CCS(=O)(=O)c1ccccc1.N

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.95
HSD11B1 P28845 5/20 0.57
GAA P10253 1/20 0.54
HTR6 P50406 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
PLA2G7 Q13093 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL180713 0.97 PSIP1 (1.00) PSIP1HSD11B1GAAHTR6POLB
Fluoride SCHEMBL9493182 0.95 PSIP1 (0.95) PSIP1HSD11B1GAAHTR6POLB
Methylamine SCHEMBL28266275 0.92 PSIP1 (0.90) PSIP1HSD11B1GAAHTR6POLB
SCHEMBL27891797 0.90 PSIP1 (0.86) PSIP1HSD11B1GAAHTR6POLB
Sulfuric Acid SCHEMBL27681094 0.90 PSIP1 (0.86) PSIP1HSD11B1GAAHTR6POLB
Acetic Acid SCHEMBL28112958 0.88 PSIP1 (0.82) PSIP1HSD11B1GAAPOLBALDH1A1
SCHEMBL789569 0.88 PSIP1 (0.82) PSIP1HSD11B1GAAHTR6POLB
SCHEMBL14431973 0.88 PSIP1 (0.82) PSIP1HSD11B1GAAHTR6POLB
Methylphenylsulfone SCHEMBL9733545 0.88 PSIP1 (0.82) PSIP1HSD11B1GAAPOLBALDH1A1
Phenol SCHEMBL28291911 0.86 PSIP1 (0.78) PSIP1HSD11B1GAAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 EP disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 US disclosed
EP-1131321-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2001-09-12 EP disclosed
WO-2000031074-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2000-06-02 WO disclosed