SCHEMBL3399795

SCHEMBL3399795

[CH2]C(=O)CNCCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 9/20 0.62
▸ TRPV1 Q8NER1 1/20 0.57
▸ LMNA P02545 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ S1PR2 O95136 1/20 0.54
▸ S1PR4 O95977 1/20 0.54
▸ S1PR1 P21453 1/20 0.54
▸ S1PR3 Q99500 1/20 0.54
▸ ASAH1 Q13510 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL3399511 0.95 SIGMAR1 (0.62) SIGMAR1L3MBTL1
SCHEMBL3399836 0.87 GAA (0.57) SIGMAR1L3MBTL1
SCHEMBL6033711 0.86 SIGMAR1 (0.66) SIGMAR1LMNATSHRS1PR2S1PR4
SCHEMBL11330006 0.84 SIGMAR1 (0.69) SIGMAR1TRPV1LMNATSHRS1PR2
Hydrochloric Acid SCHEMBL5695091 0.84 SIGMAR1 (0.63) SIGMAR1LMNATSHRS1PR2S1PR4
SCHEMBL4953206 0.83 SIGMAR1 (0.61) SIGMAR1TRPV1S1PR2S1PR4S1PR1
SCHEMBL425222 0.82 TRPV1 (0.65) TRPV1LMNATSHRASAH1L3MBTL1
SCHEMBL158734 0.80 SIGMAR1 (0.67) SIGMAR1S1PR1S1PR3L3MBTL1
SCHEMBL5695106 0.80 SIGMAR1 (0.58) SIGMAR1TRPV1S1PR2S1PR4S1PR1
SCHEMBL23033613 0.80 SIGMAR1 (0.73) SIGMAR1S1PR2S1PR4S1PR1S1PR3

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-2010015703-A2 NOVEL 6-O-SUBSTITUTED 15-MEMBERED 8A- AND 9A-LACTAMS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2010-02-11 — — WO disclosed
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