SCHEMBL7598035

SCHEMBL7598035

CCCN(CCC)CCOCC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL749829 0.91 ALDH1A1 (0.45) ALDH1A1MEN1POLBKMT2ATSHR
SCHEMBL16592400 0.91 MEN1 (0.33) ALDH1A1MEN1POLBKMT2A
SCHEMBL27361642 0.91 HTR1B (0.38) MEN1POLBKMT2A
SCHEMBL19144434 0.90 MEN1 (0.45) ALDH1A1MEN1POLBKMT2ATSHR
SCHEMBL9705211 0.88 MEN1 (0.41) ALDH1A1MEN1POLBKMT2ATSHR
SCHEMBL9705218 0.88 MEN1 (0.41) ALDH1A1MEN1POLBKMT2ATSHR
SCHEMBL9705659 0.88 MEN1 (0.41) ALDH1A1MEN1POLBKMT2ATSHR
SCHEMBL9705246 0.86 BLM (0.42) MEN1POLBKMT2ATSHRBLM
SCHEMBL1323791 0.86 BLM (0.42) ALDH1A1MEN1POLBKMT2ATSHR
SCHEMBL9136240 0.86 BLM (0.42) ALDH1A1MEN1POLBKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100338046-C Antimalarial and anti-babesiosis agent and pharmaceutical compositions contg. same VIRBAC SA (FR) 2007-09-19 CN disclosed
EP-0917465-B1 ANTIMALARIAL AND ANTI-BABESIOSIS AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AGENTS VIRBAC SA (FR) 2002-11-20 EP disclosed
US-6096788-A MOLECULES CONTAINING TWO QUATERNARY AMMONIUM GROUPS ON ENDS OF HYDROCARBON CHAIN VIRBAC S.A. (FR) 2000-08-01 US disclosed
CN-1232388-A Antimalarial and babesiosis-resistant agents and pharmaceutical compositions containing them VIRBAC SA (FR) 1999-10-20 CN disclosed
EP-0917465-A1 ANTIMALARIAL AND ANTI-BABESIOSIS AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Virbac S.A. (FR) 1999-05-26 EP disclosed
WO-1998004252-A1 ANTIMALARIAL AND ANTI-BABESIOSIS AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME VIRBAC S.A. (FR) 1998-02-05 WO disclosed