Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6000687

CCC(c1cccc(C)c1)c1cccc(F)c1.N

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
OPRM1 P35372 1/20 0.40
CYP19A1 P11511 3/20 0.39
ACP3 P15309 1/20 0.39
AOC3 Q16853 1/20 0.39
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
Ammonia Solution, Strong SCHEMBL6001307 0.91 IDO1 (0.46) ACHEIDO1TDO2CYP19A1AOC3
SCHEMBL22048343 0.89 IDO1 (0.47) ACHEIDO1TDO2CYP19A1AOC3
Ammonia Solution, Strong SCHEMBL5999523 0.88 ACHE (0.42) ACHEIDO1TDO2OPRM1CYP19A1
Ammonia Solution, Strong SCHEMBL5999540 0.87 IDO1 (0.47) IDO1TDO2CYP19A1AOC3SLC6A2
SCHEMBL15063797 0.87 ACHE (0.48) ACHECYP19A1ACP3AOC3
Ammonia Solution, Strong SCHEMBL6001477 0.86 IDO1 (0.42) ACHEIDO1TDO2CYP19A1AOC3
SCHEMBL23126406 0.85 IDO1 (0.49) IDO1TDO2CYP19A1AOC3SLC6A2
Methylamine SCHEMBL6000383 0.85 IDO1 (0.49) ACHEIDO1TDO2CYP19A1AOC3
Dimethylamine SCHEMBL6001286 0.84 SLC6A4 (0.44) IDO1TDO2CYP19A1AOC3SLC6A2
Ethylamine SCHEMBL6001271 0.84 IDO1 (0.47) IDO1TDO2CYP19A1AOC3SLC6A2

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
US-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases MUELLER ALAN L 2006-06-29 US disclosed
US-6750244-B2 NERVOUS SYSTEM DISORDERS NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6211245-B1 DRUGS FOR CONTROLLING CALCIUM MODULATORS NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
US-6051610-A COMPOUNDS USEFUL AS NEUROPROTECTANTS, ANTICONVULSANTS, ANXIOLYTICS, ANALGESICS, MUSCLE RELAXANTS OR ADJUVANTS TO GENERAL ANESTHETICS NPS PHARMACEUTICALS, INC. (US) 2000-04-18 US disclosed
US-6017965-A TREATING STROKE, HEAD TRAUMA, SPINAL CORD INJURY, SPINAL CORD ISCHEMIA, ISCHEMIA- OR HYPOXIA-INDUCED NERVE CELL DAMAGE, EPILEPSY, ANXIETY, NEUROPSYCHIATRIC OR COGNITIVE DEFICITS DUE TO ISCHEMIA OR HYPOXIA NPS PHARMACEUTICALS, INC. (US) 2000-01-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D ACHE 248/4885IDO1 3661/4885TDO2 3085/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.