SCHEMBL18942765

SCHEMBL18942765

CC(=O)[C@@H](N)CCCCN1C(=O)C=CC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 0.53
▸ FAAH O00519 5/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ TLR9 Q9NR96 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ XBP1 P17861 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ GPR35 Q9HC97 1/20 0.52
▸ GPR55 Q9Y2T6 1/20 0.52
▸ PTGS1 P23219 7/20 0.49

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
SCHEMBL14679245 0.85 MGLL (0.55) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL22687997 0.85 MGLL (0.55) MGLLFAAHALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL22657871 0.83 MGLL (0.53) MGLLFAAHALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL22657875 0.83 MGLL (0.53) MGLLFAAHALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL28705925 0.83 MGLL (0.53) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL13646042 0.82 OPRM1 (0.36) MGLLFAAHNPSR1TP53PTGS1
SCHEMBL12762387 0.82 OPRM1 (0.36) MGLLFAAHNPSR1TP53PTGS1
SCHEMBL13647132 0.82 OPRM1 (0.36) MGLLFAAHNPSR1TP53PTGS1
SCHEMBL24521691 0.80 HDAC1 (0.33) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL24722182 0.80 MGLL (0.57) MGLLFAAHALDH1A1LMNAMAPT

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-2017095237-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS SAMMUT IVAN ANDREW (NZ) 2017-06-08 — — WO disclosed
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