SCHEMBL9748043

SCHEMBL9748043

CCCCN(CCCC)C(N)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
OPRM1 P35372 1/20 0.32
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 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
SCHEMBL4582749 0.73 OPRM1 (0.39) PLA2G1BPLA2G2AOPRM1MMP1MMP2
SCHEMBL464951 0.72 OPRM1 (0.42) PLA2G1BPLA2G2AOPRM1MMP1MMP2
SCHEMBL7456125 0.71 TSHR (0.35) MMP1MMP2MMP3MMP8
SCHEMBL234773 0.70 PLA2G1B (0.35) PLA2G1BPLA2G2AOPRM1MMP1MMP2
SCHEMBL3460398 0.68 PLA2G1B (0.39) PLA2G1BPLA2G2AOPRM1MMP1MMP2
SCHEMBL20774234 0.68 PLA2G1B (0.39) PLA2G1BPLA2G2AOPRM1MMP1MMP2
SCHEMBL6973173 0.68 OPRM1 (0.33) PLA2G1BPLA2G2AOPRM1MMP1MMP2
SCHEMBL15132109 0.68 PLA2G1B (0.39) PLA2G1BPLA2G2AOPRM1MMP1MMP2
SCHEMBL30996352 0.67 OPRM1 (0.37) PLA2G1BPLA2G2AOPRM1MMP1MMP2
SCHEMBL3650242 0.67 LMNA (0.38) PLA2G1BPLA2G2AOPRM1MMP1MMP2

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
US-5120860-A Dehydrating hydroxyalkylamines with non-zeolitic molecular sieves containing alkali or alkaline earth metals UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-06-09 US disclosed