SCHEMBL8397189

SCHEMBL8397189

CCCCN1CCC(C(OC(=O)OC(C2CCN(CCCC)CC2)C2CCN(CCCC)CC2)C2CCN(CCCC)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 5/20 0.41
GNAO1 P09471 5/20 0.41
GNAI1 P63096 5/20 0.41
EPHX1 P07099 2/20 0.41
EPHX2 P34913 2/20 0.41
KCNH2 Q12809 1/20 0.40
USP2 O75604 1/20 0.40
HTR4 Q13639 2/20 0.39
ACHE P22303 1/20 0.39
CHRM3 P20309 2/20 0.38
BCHE P06276 1/20 0.37

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 SCHEMBL8394497 0.98 GNAO1 (0.44) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL8397190 0.89 KCNH2 (0.43) GNAI3GNAO1GNAI1EPHX1EPHX2
Hydrochloric Acid SCHEMBL8394495 0.87 GNAI3 (0.42) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL8564002 0.83 BCHE (0.48) USP2CHRM3BCHE
Hydrochloric Acid SCHEMBL8564869 0.82 BCHE (0.47) CHRM3BCHE
SCHEMBL14450366 0.74 EPHX1 (0.51) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL8563999 0.73 BCHE (0.47) CHRM3BCHE
SCHEMBL1615678 0.72 GNAO1 (0.50) GNAI3GNAO1GNAI1KCNH2
Bromide SCHEMBL5227181 0.72 GNAI3 (0.44) GNAI3GNAO1GNAI1EPHX1EPHX2
Hydrochloric Acid SCHEMBL8564868 0.72 BCHE (0.46) CHRM3BCHE

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 4 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
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