Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6000616

CCCC(c1cccc(F)c1)c1cccc(F)c1.N

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
AOC3 Q16853 1/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.40
CNR2 P34972 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ACHE P22303 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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 SCHEMBL6001112 0.89 CYP19A1 (0.47) CYP19A1IDO1TDO2AOC3SLC6A4
SCHEMBL11994155 0.87 CYP19A1 (0.48) CYP19A1IDO1TDO2AOC3SLC6A4
Ammonia Solution, Strong SCHEMBL6001307 0.84 IDO1 (0.46) CYP19A1IDO1TDO2AOC3SLC6A4
SCHEMBL17320101 0.82 AOC3 (0.42) CYP19A1IDO1TDO2AOC3SLC6A4
SCHEMBL22048343 0.82 IDO1 (0.47) CYP19A1IDO1TDO2AOC3SLC6A4
SCHEMBL16950584 0.81 AOC3 (0.41) CYP19A1IDO1TDO2AOC3SLC6A4
SCHEMBL779646 0.81 AOC3 (0.41) CYP19A1IDO1TDO2AOC3SLC6A4
SCHEMBL14607991 0.81 AOC3 (0.41) CYP19A1IDO1TDO2AOC3SLC6A4
Ammonia Solution, Strong SCHEMBL5999540 0.81 IDO1 (0.47) CYP19A1IDO1TDO2AOC3SLC6A4
SCHEMBL13849940 0.79 CES2 (0.45) SLC6A4SLC6A2HDAC4HDAC7HDAC5

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 CYP19A1 4542/4885IDO1 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.