SCHEMBL6131533

SCHEMBL6131533

CCCN(CCC)Cc1ccccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
HTR1A P08908 1/20 0.44
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL168005 0.79 SLC6A2 (0.53) MAPTMEN1SLC6A3KMT2AHSD17B10
SCHEMBL31213435 0.79 SLC6A2 (0.53) MAPTMEN1SLC6A3KMT2AHSD17B10
SCHEMBL6555382 0.78 MAPT (0.52) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL162322 0.78 MAPT (0.52) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL11795231 0.78 HTR1A (0.53) HTR1AMAPTLMNAHSD17B10ALDH1A1
SCHEMBL334956 0.77 KMT2A (0.47) TP53MAPTMEN1NR1I2LMNA
SCHEMBL542238 0.77 SCN1A (0.51) TP53HTR1AMAPTMEN1NR1I2
SCHEMBL25978795 0.77 MAPT (0.40) TP53MAPTMEN1NR1I2LMNA
SCHEMBL7214875 0.76 HTR1A (0.47) TP53HTR1AMAPTMEN1NR1I2
SCHEMBL20581696 0.76 MAPT (0.50) MAPTMEN1NR1I2LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1550657-A1 AMINE COMPOUNDS AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2005-07-06 EP disclosed