SCHEMBL8397178

SCHEMBL8397178

CCCCN(CCCC)CCCCCOC(=O)OCCCCCN(CCCC)CCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
DRD3 P35462 1/20 0.47
SCN1A P35498 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
EPHX1 P07099 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
FAAH O00519 1/20 0.44
ACHE P22303 6/20 0.44
TSHR P16473 2/20 0.44

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 SCHEMBL8399761 0.96 NAAA (0.46) NAAALMNACYP1A2CHRM2CYP3A4
SCHEMBL8394576 0.92 NAAA (0.48) NAAALMNACYP1A2CHRM2CYP3A4
SCHEMBL8397192 0.92 LMNA (0.54) NAAALMNACYP1A2CHRM2CYP3A4
Hydrochloric Acid SCHEMBL8398226 0.90 LMNA (0.53) NAAALMNACYP1A2CHRM2CYP3A4
SCHEMBL26633446 0.89 NAAA (0.47) NAAALMNAEPHX1THRATHRB
SCHEMBL8399785 0.88 DNM1 (0.49) NAAALMNACYP1A2CHRM2CYP3A4
SCHEMBL25891440 0.88 ACHE (0.49) NAAALMNAEPHX1THRATHRB
SCHEMBL25891414 0.88 ACHE (0.49) NAAALMNAEPHX1THRATHRB
SCHEMBL31245844 0.88 NAAA (0.46) NAAALMNACYP1A2CHRM2CYP3A4
SCHEMBL25891510 0.88 ACHE (0.49) NAAALMNAEPHX1THRATHRB

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 3 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
EP-0748310-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.p.A. (IT) 1996-12-18 EP disclosed
WO-1995023128-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.P.A. (IT) 1995-08-31 WO disclosed