SCHEMBL6722076

SCHEMBL6722076

O=C(Nc1ccccn1)c1c[nH]c2ccc(OCCCn3cccc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR1A P08908 3/20 0.41
HTR1B P28222 3/20 0.41
HTR1F P30939 3/20 0.41
HTR1D P28221 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MET P08581 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
GRM5 P41594 2/20 0.39
F10 P00742 1/20 0.39
HTR2C P28335 1/20 0.38
CHRNB2 P17787 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
SCHEMBL6734018 0.88 MET (0.51) MEN1KMT2AL3MBTL1KDM4EHTR1A
SCHEMBL6722035 0.87 HTR2C (0.44) MEN1KMT2AL3MBTL1KDM4EHTR1A
SCHEMBL6724794 0.87 MET (0.53) KDM4EHTR1AHTR1BHTR1FHTR1D
SCHEMBL6726991 0.86 HTR1A (0.48) MEN1KMT2AHTR1AHTR1BHTR1F
SCHEMBL6733766 0.86 MET (0.46) KDM4EHTR1AHTR1BHTR1FHTR1D
SCHEMBL6729649 0.85 HTR2C (0.47) MEN1KMT2AL3MBTL1KDM4EHTR1A
SCHEMBL6724701 0.85 MET (0.48) HTR1AHTR1BHTR1FHTR1DNPC1
SCHEMBL6726254 0.85 NPC1 (0.42) MEN1KMT2AL3MBTL1KDM4EHTR1A
SCHEMBL6722139 0.84 RXFP1 (0.54) MEN1KMT2AL3MBTL1KDM4EHTR1A
SCHEMBL6726955 0.84 NPC1 (0.41) MEN1KMT2AL3MBTL1KDM4EHTR1A

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
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US claimed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US disclosed