SCHEMBL2383676

SCHEMBL2383676

C[N+]1(CCCCN2CCCC2)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
BBOX1 O75936 2/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.39
APOBEC3A P31941 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HRH1 P35367 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CARM1 Q86X55 1/20 0.35

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
SCHEMBL16295001 0.96 HRH3 (0.58) HRH3BBOX1MAPTLMNAAPOBEC3A
SCHEMBL14637498 0.91 HRH3 (0.47) HRH3LMNAKMT2ACYP3A4TSHR
SCHEMBL10265963 0.83 KDM4E (0.43) HRH3BBOX1MAPTLMNAAPOBEC3A
SCHEMBL13881940 0.82 BBOX1 (0.41) HRH3BBOX1MAPTLMNAAPOBEC3A
SCHEMBL18945898 0.79 SIGMAR1 (0.55) HRH3CHRM2CHRM4HRH1SIGMAR1
SCHEMBL812356 0.79 BBOX1 (0.58) BBOX1LMNAAPOBEC3AAPOBEC3GKMT2A
SCHEMBL10266022 0.78 GNAO1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL7628516 0.77 BBOX1 (0.56) BBOX1LMNAAPOBEC3AAPOBEC3GKMT2A
SCHEMBL2158184 0.77 BBOX1 (0.56) BBOX1LMNAAPOBEC3AAPOBEC3GKMT2A
SCHEMBL7593954 0.77 BBOX1 (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782744-B2 Detection and molecular weight determination of organic vapors BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2017-10-10 US disclosed
US-20130303402-A1 Detection and Molecular Weight Determination of Organic Vapors Board of Supervisors of Louisiana State University and Agricultural and Mechinical College (US) 2013-11-14 US disclosed
WO-2012158214-A2 DETECTION AND MOLECULAR WEIGHT DETERMINATION OF ORGANIC VAPORS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-11-22 WO disclosed
US-20110217553-A1 Frozen Ionic Liquid Microparticles and Nanoparticles, and Methods for their Synthesis and Use U.S. DEPARTMENT OF ENERGY 2011-09-08 US disclosed