SCHEMBL8520829

SCHEMBL8520829

CC(N)NCCNCCN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.50
ERAP2 Q6P179 1/20 0.50
HSD17B10 Q99714 1/20 0.45
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ACE2 Q9BYF1 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RECQL P46063 1/20 0.39
RAD52 P43351 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
POLB P06746 1/20 0.34
HTR4 Q13639 2/20 0.34

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
SCHEMBL26398697 0.86 ANPEP (0.45) ANPEPERAP2HSD17B10CYP3A4CYP2D6
SCHEMBL29860764 0.82 HSD17B10 (0.55) ANPEPERAP2HSD17B10CYP3A4CYP2D6
SCHEMBL30556372 0.81 ANPEP (0.55) ANPEPERAP2HSD17B10CYP3A4CYP2D6
SCHEMBL845511 0.80 HSD17B10 (0.57) ANPEPERAP2HSD17B10CYP3A4CYP2D6
Trientine SCHEMBL9064137 0.77 ACE2 (0.69) ANPEPERAP2HSD17B10CYP3A4CYP2D6
SCHEMBL18427337 0.77 CARM1 (0.48) ANPEPERAP2HSD17B10CYP3A4CYP2D6
SCHEMBL13078379 0.77 HSD17B10 (0.47) ANPEPERAP2HSD17B10CYP3A4CYP2D6
SCHEMBL600834 0.77 ACE2 (0.69) ANPEPERAP2HSD17B10CYP3A4CYP2D6
SCHEMBL2138667 0.77 ACE2 (0.69) ANPEPERAP2HSD17B10CYP3A4CYP2D6
SCHEMBL25568895 0.77 CARM1 (0.48) ANPEPERAP2HSD17B10CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129651-B1 NOVEL METHOD FOR PRODUCING TETA BY MEANS OF EDDN BASF SE (DE) 2013-04-10 EP claimed
EP-0604097-B1 Ink compositions XEROX CORP (US) 1999-10-13 EP claimed