Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL8031383

CCCN1CCC(C)(C)C1=O.N

nearest known ligand 0.37

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PER2 O15055 2/20 0.37
CRY2 Q49AN0 2/20 0.37
BDKRB2 P30411 1/20 0.36
OPRM1 P35372 4/20 0.34
OPRL1 P41146 4/20 0.34
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
EHMT2 Q96KQ7 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
AOC2 O75106 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL28648812 0.98 PER2 (0.38) PER2CRY2BDKRB2OPRM1OPRL1
SCHEMBL27602897 0.86 OPRM1 (0.45) PER2CRY2BDKRB2OPRM1OPRL1
SCHEMBL28465414 0.83 RARB (0.43) OPRM1OPRL1
SCHEMBL16703117 0.81 PER2 (0.39) PER2CRY2OPRM1OPRL1OPRD1
SCHEMBL21389132 0.80 PER2 (0.40) PER2CRY2BDKRB2OPRM1OPRL1
SCHEMBL27743133 0.80 PER2 (0.37) PER2CRY2OPRM1OPRL1OPRD1
SCHEMBL18673587 0.78 BDKRB2 (0.39) BDKRB2OPRM1OPRL1OPRD1OPRK1
SCHEMBL28538166 0.78 BDKRB2 (0.36) BDKRB2OPRM1OPRL1OPRD1OPRK1
SCHEMBL13432030 0.77 PER2 (0.35) PER2CRY2OPRM1OPRL1OPRD1
SCHEMBL8790538 0.77 RAB9A (0.39) BDKRB2OPRM1OPRL1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028066-A FOR DELIVERING HIGHER CONCENTRATIONS OF BIOACTIVE AGENTS TO IMPROVE EFFICACY OF THE BIOACTIVE AGENTS IMARX PHARMACEUTICAL CORP. (US) 2000-02-22 US disclosed
WO-1998050041-A1 NOVEL PRODRUGS COMPRISING FLUORINATED AMPHIPHILES IMARX PHARMACEUTICAL CORP. (US) 1998-11-12 WO disclosed