Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4480415

N.O=C(O)N1CCn2c(ccc2C2CC2)C1

nearest known ligand 0.35

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
SIGMAR1 Q99720 1/20 0.31
CSNK1E P49674 2/20 0.30
CSNK1D P48730 1/20 0.30
CDC42 P60953 3/20 0.30
RAC1 P63000 3/20 0.30
PTGS1 P23219 2/20 0.30
PTGS2 P35354 2/20 0.30
NPC1 O15118 1/20 0.30
CHRM3 P20309 1/20 0.30
OPRM1 P35372 1/20 0.30
RAB9A P51151 1/20 0.30
PAK1 Q13153 1/20 0.30

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
SCHEMBL14841967 0.79 NR1H2 (0.39) NR1H2CSNK1E
SCHEMBL14841682 0.67 CREBBP (0.35) CSNK1E
SCHEMBL2753361 0.67 GRM5 (0.41) NR1H2RAB9A
SCHEMBL2752518 0.64 MKNK1 (0.40)
SCHEMBL2753740 0.63 THRB (0.38) RAB9A
SCHEMBL5380065 0.62 SIGMAR1 (0.64) SIGMAR1
SCHEMBL28734987 0.61 PDK2 (0.40)
SCHEMBL27233042 0.61 PDK2 (0.40)
SCHEMBL15152267 0.61 SPR (0.40) NPC1RAB9A
SCHEMBL27920635 0.61 NOTUM (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed