SCHEMBL8564002

SCHEMBL8564002

CCCCN1CCCC(C(OC(=O)OC(C2CCCN(CCCC)C2)C2CCCN(CCCC)C2)C2CCCN(CCCC)C2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.48
KDM2B Q8NHM5 3/20 0.37
CHRM3 P20309 1/20 0.37
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
USP2 O75604 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 SCHEMBL8564869 0.99 BCHE (0.47) BCHEKDM2BCHRM3DPP4FAP
SCHEMBL8563999 0.90 BCHE (0.47) BCHEKDM2BCHRM3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8564868 0.89 BCHE (0.46) BCHECHRM3KDM4EALDH1A1LMNA
SCHEMBL8397189 0.83 GNAI3 (0.41) BCHECHRM3USP2
Hydrochloric Acid SCHEMBL8394497 0.82 GNAO1 (0.44) CHRM3USP2
SCHEMBL9345020 0.77 BCHE (0.48) BCHE
SCHEMBL9541874 0.77 BCHE (0.48) BCHECHRM3
SCHEMBL23710775 0.77 BCHE (0.45) BCHE
SCHEMBL28800001 0.75 BCHE (0.44) BCHE
SCHEMBL8397190 0.73 KCNH2 (0.43) CHRM3KDM4EALDH1A1USP2

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
US-5827881-A ADMINISTERING FOR TREATMENT OF VIRAL DISEASES OR AS ANTIINFLAMMATORY AGENTS ITALFARMACO S.P.A. (IT) 1998-10-27 US disclosed