SCHEMBL8629784

SCHEMBL8629784

CCCCCCCCCCCCCCC(CC)C(N)C1=NCCN1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.36
PLA2G2A P14555 1/20 0.36
NISCH Q9Y2I1 5/20 0.33
ADRA2A P08913 5/20 0.33
ADRA2B P18089 5/20 0.33
ADRA2C P18825 5/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
OPRM1 P35372 1/20 0.32
SPHK1 Q9NYA1 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
SCHEMBL8626849 1.00 PLA2G1B (0.36) PLA2G1BPLA2G2ANISCHADRA2AADRA2B
SCHEMBL8627813 1.00 PLA2G1B (0.36) PLA2G1BPLA2G2ANISCHADRA2AADRA2B
SCHEMBL8625454 1.00 PLA2G1B (0.36) PLA2G1BPLA2G2ANISCHADRA2AADRA2B
SCHEMBL8629172 0.93 CNR1 (0.33) PLA2G1BPLA2G2ASPHK1
SCHEMBL8629122 0.84 NISCH (0.37) PLA2G1BPLA2G2ANISCHADRA2AADRA2B
SCHEMBL8629743 0.84 NISCH (0.37) PLA2G1BPLA2G2ANISCHADRA2AADRA2B
SCHEMBL8627758 0.84 NISCH (0.37) PLA2G1BPLA2G2ANISCHADRA2AADRA2B
SCHEMBL8630406 0.84 NISCH (0.37) PLA2G1BPLA2G2ANISCHADRA2AADRA2B
SCHEMBL8630403 0.82 ADRA2A (0.35) NISCHADRA2AADRA2BADRA2CMAOA
SCHEMBL8626660 0.82 ADRA2A (0.35) NISCHADRA2AADRA2BADRA2CMAOA

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
EP-0276501-B2 Thickening compositions and thickened aqueous acid solutions AKZO NOBEL NV (NL) 1998-06-17 EP disclosed
US-5041239-A Premix compositions for the preparation of thickened aqueous acid solutions AKZO N. V. (NL) 1991-08-20 US disclosed
US-4853146-A Thickening compositions and thickened aqueous acid solutions AKZO N.V. (NL) 1989-08-01 US disclosed
EP-0276501-A2 Thickening compositions and thickened aqueous acid solutions Akzo Nobel N.V. (NL) 1988-08-03 EP disclosed