SCHEMBL6608957

SCHEMBL6608957

CCCCN(CC[N+](=O)[O-])c1c[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
MITF O75030 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 2/20 0.38
UTS2R Q9UKP6 1/20 0.38
BCHE P06276 3/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL14399666 0.78 HTR2A (0.53) NPC1MAPTMEN1KMT2AALDH1A1
SCHEMBL6608825 0.76 NPC1 (0.41) NPC1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5260586 0.73 NPC1 (0.47) NPC1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5792372 0.73 NPC1 (0.46) NPC1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4982358 0.71 MEN1 (0.54) NPC1MAPTMEN1KMT2AALDH1A1
SCHEMBL10993059 0.70 HTR1A (0.46) NPC1MAPTMEN1KMT2AALDH1A1
SCHEMBL30995725 0.66 PKM (0.62) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL2187283 0.66 PKM (0.62) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL10980705 0.65 ALDH1A1 (0.53) NPC1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27474102 0.64 LMNA (0.58) NPC1SMN1; SMN2MAPTMEN1KMT2A

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-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 WO disclosed