SCHEMBL8397190

SCHEMBL8397190

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
CHRM3 P20309 3/20 0.40
GNAI3 P08754 3/20 0.40
GNAO1 P09471 3/20 0.40
GNAI1 P63096 3/20 0.40
EPHX1 P07099 2/20 0.40
EPHX2 P34913 2/20 0.40
USP2 O75604 1/20 0.39
ACHE P22303 1/20 0.39
HTR4 Q13639 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36

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 SCHEMBL8394495 0.98 GNAI3 (0.42) KCNH2CHRM3GNAI3GNAO1GNAI1
SCHEMBL8397189 0.89 GNAI3 (0.41) KCNH2CHRM3GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL8394497 0.87 GNAO1 (0.44) KCNH2CHRM3GNAI3GNAO1GNAI1
SCHEMBL8563999 0.84 BCHE (0.47) CHRM3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8564868 0.83 BCHE (0.46) CHRM3KDM4EALDH1A1
SCHEMBL6944812 0.74 KCNH2 (0.55) KCNH2GNAI3GNAO1GNAI1EPHX1
SCHEMBL8564002 0.73 BCHE (0.48) CHRM3USP2KDM4EALDH1A1
SCHEMBL14450366 0.73 EPHX1 (0.51) CHRM3GNAI3GNAO1GNAI1EPHX1
Acetic Acid SCHEMBL4538190 0.73 POLB (0.49) KCNH2GNAI3GNAO1GNAI1MEN1
Hydrochloric Acid SCHEMBL8564869 0.72 BCHE (0.47) CHRM3KDM4EALDH1A1

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