Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL8976504

COc1ccc(CC(C)c2ccccc2)cc1.N

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
SLC6A4 P31645 1/20 0.55
LTA4H P09960 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
LDHA P00338 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL4603241 0.98 MEN1 (0.59) MEN1KMT2ASLC6A4LTA4HCYP1A2
SCHEMBL4603238 0.98 MEN1 (0.59) MEN1KMT2ASLC6A4LTA4HCYP1A2
Ammonia Solution, Strong SCHEMBL5305768 0.93 ALDH1A1 (0.58) MEN1KMT2ASLC6A4LTA4HCYP1A2
SCHEMBL28344007 0.91 ALDH1A1 (0.59) MEN1KMT2ASLC6A4LTA4HCYP1A2
SCHEMBL28344005 0.91 ALDH1A1 (0.59) MEN1KMT2ASLC6A4LTA4HCYP1A2
SCHEMBL10338355 0.89 CYP1A2 (0.63) MEN1KMT2ASLC6A4LTA4HCYP1A2
Fumaric Acid SCHEMBL8867436 0.88 TDP1 (0.53) MEN1KMT2ALDHAALDH1A1PPARG
SCHEMBL9069704 0.84 ESR1 (0.61) SLC6A4SIGMAR1ESR1ESR2
SCHEMBL21286388 0.84 CYP1A2 (0.58) MEN1KMT2ASLC6A4CYP1A2CYP2D6
SCHEMBL217345 0.83 MEN1 (0.62) MEN1KMT2ASLC6A4LTA4HCYP1A2

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
US-5539120-A Arylalkyl-amines having anticonvulsant and neuroprotective properties AGENCE SPATIALE EUROPEENNE (FR) 1996-07-23 US claimed
EP-0356035-B1 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1996-03-13 EP claimed
WO-1991011995-A1 ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES FISONS CORPORATION (US) 1991-08-22 WO claimed
EP-0356035-A2 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1990-02-28 EP claimed