SCHEMBL3674134

SCHEMBL3674134

C[N+]1(CCCCCCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.56
LMNA P02545 4/20 0.53
APOBEC3A P31941 2/20 0.53
APOBEC3G Q9HC16 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KDM4E B2RXH2 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.43
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39

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
SCHEMBL2393255 1.00 BBOX1 (0.56) BBOX1LMNAAPOBEC3AAPOBEC3GKMT2A
SCHEMBL12638424 1.00 BBOX1 (0.56) BBOX1LMNAAPOBEC3AAPOBEC3GKMT2A
SCHEMBL7593954 1.00 BBOX1 (0.56) BBOX1LMNAAPOBEC3AAPOBEC3GKMT2A
Pentolinium SCHEMBL210048 1.00 BBOX1 (0.56) BBOX1LMNAAPOBEC3AAPOBEC3GKMT2A
SCHEMBL2158184 1.00 BBOX1 (0.56) BBOX1LMNAAPOBEC3AAPOBEC3GKMT2A
Pentolinium SCHEMBL7605988 0.97 BBOX1 (0.54) BBOX1LMNAAPOBEC3AAPOBEC3GKMT2A
SCHEMBL923466 0.97 LMNA (0.57) BBOX1LMNAAPOBEC3AAPOBEC3GKMT2A
Bromide SCHEMBL7605138 0.97 BBOX1 (0.54) BBOX1LMNAAPOBEC3AAPOBEC3GKMT2A
SCHEMBL3037609 0.97 LMNA (0.57) BBOX1LMNAAPOBEC3AAPOBEC3GKMT2A
Water SCHEMBL29283573 0.97 BBOX1 (0.54) BBOX1LMNAAPOBEC3AAPOBEC3GKMT2A

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
EP-1399414-B1 SUBSTITUTED TETRACYCLINE COMPOUNDS FOR THE TREATMENT OF MALARIA PARATEK PHARM INNC (US) 2010-01-13 EP claimed
US-6972343-B1 Quaternary bis-ammonium salt precursors and their uses as prodrugs having an antiparasitic activity CNRS (FR) 2005-12-06 US disclosed
EP-1196371-B1 QUATERNARY BIS-AMMONIUM SALT PRECURSORS AND THEIR USES AS PRODRUGS HAVING AN ANTIPARASITIC ACTIVITY CENTRE NAT RECH SCIENT (FR) 2005-11-02 EP disclosed
EP-0917465-B1 ANTIMALARIAL AND ANTI-BABESIOSIS AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AGENTS VIRBAC SA (FR) 2002-11-20 EP 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