SCHEMBL8399781

SCHEMBL8399781

CCN(CC)CCCC(C)OC(=O)OC(C)CCCN(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 1/20 0.35
PAOX Q6QHF9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
SCN5A Q14524 1/20 0.34

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
Hydrochloric Acid SCHEMBL8399760 0.96 LMNA (0.39) FAAHCNR1CNR2LMNACHRM2
SCHEMBL8394687 0.87 FAAH (0.45) FAAHCNR1CNR2LMNACHRM2
SCHEMBL8395380 0.87 FAAH (0.45) FAAHCNR1CNR2LMNACHRM2
Hydrochloric Acid SCHEMBL8398588 0.84 FAAH (0.43) FAAHCNR1CNR2LMNACHRM2
SCHEMBL8395456 0.84 FAAH (0.50) FAAHCNR1CNR2LMNAMAPT
Hydrochloric Acid SCHEMBL8563026 0.84 FAAH (0.43) FAAHCNR1CNR2LMNACHRM2
SCHEMBL8399782 0.83 CA12 (0.35) FAAHCNR1CNR2LMNAALDH1A1
Hydrochloric Acid SCHEMBL8398606 0.82 FAAH (0.49) FAAHCNR1CNR2LMNAMAPT
SCHEMBL8395747 0.81 FAAH (0.47) FAAHCNR1CNR2LMNACHRM2
SCHEMBL8362161 0.81 TSHR (0.37) FAAHCNR1CNR2LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748310-B1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 1999-06-02 EP disclosed
US-5827881-A ADMINISTERING FOR TREATMENT OF VIRAL DISEASES OR AS ANTIINFLAMMATORY AGENTS ITALFARMACO S.P.A. (IT) 1998-10-27 US disclosed