SCHEMBL3668009

SCHEMBL3668009

O=CC(c1ccccc1)N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
SLC6A4 P31645 9/20 0.50
OPRD1 P41143 8/20 0.50
SLC6A2 P23975 7/20 0.50
SLC6A3 Q01959 3/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL8872239 0.83 CYP1A2 (0.55) MEN1KMT2A
SCHEMBL12068491 0.83 CYP1A2 (0.55) MEN1KMT2A
SCHEMBL3244612 0.83 SLC6A2 (0.45) MEN1KMT2ASLC6A4OPRD1SLC6A2
SCHEMBL1101369 0.82 MEN1 (0.59) MEN1KMT2ASLC6A4OPRD1SLC6A2
SCHEMBL7368104 0.82 MEN1 (0.59) MEN1KMT2ASLC6A4OPRD1SLC6A2
SCHEMBL8097811 0.81 CYP1A2 (0.57) MEN1KMT2A
Hydrochloric Acid SCHEMBL7459908 0.81 LMNA (0.49) MEN1KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL13293355 0.81 CYP1A2 (0.57) MEN1KMT2A
Hydrochloric Acid SCHEMBL3997950 0.81 SLC6A2 (0.44) MEN1KMT2ASLC6A4OPRD1SLC6A2
Hydrochloric Acid SCHEMBL3252467 0.81 SLC6A2 (0.44) MEN1KMT2ASLC6A4OPRD1SLC6A2

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-8753875-B2 Compositions and means for diagnosing microbial infections STATENS SERUM INSTITUT (DK) 2014-06-17 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
US-20090068696-A1 COMPOSITIONS AND MEANS FOR DIAGNOSING MICROBIAL INFECTIONS STATENS SERUM INSTITUT 2009-03-12 US disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO disclosed