SCHEMBL6726282

SCHEMBL6726282

O=C(Nc1ccccn1)c1c[nH]c2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
GAA P10253 3/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX15 P16050 1/20 0.49
PKM P14618 1/20 0.49
KCNMA1 Q12791 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SORT1 Q99523 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
GRM5 P41594 1/20 0.46

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
SCHEMBL2660937 0.84 NPC1 (0.58) MEN1KMT2AL3MBTL1KDM4ENPC1
SCHEMBL6671344 0.83 NPC1 (0.54) MEN1KMT2AL3MBTL1KDM4ENPC1
SCHEMBL394777 0.81 CFTR (0.65) MEN1KMT2AL3MBTL1KDM4ENPC1
SCHEMBL6722139 0.81 RXFP1 (0.54) MEN1KMT2AL3MBTL1KDM4ENPC1
SCHEMBL6722035 0.79 HTR2C (0.44) MEN1KMT2AL3MBTL1KDM4ENPC1
SCHEMBL6724535 0.78 KDR (0.65) MEN1KMT2AL3MBTL1KDM4ENPC1
SCHEMBL6729649 0.77 HTR2C (0.47) MEN1KMT2AL3MBTL1KDM4ENPC1
SCHEMBL6726671 0.77 PIM1 (0.43) MEN1KMT2AL3MBTL1KDM4ENPC1
SCHEMBL6722076 0.76 MEN1 (0.42) MEN1KMT2AL3MBTL1KDM4ENPC1
SCHEMBL6722073 0.76 NPC1 (0.42) MEN1KMT2AL3MBTL1KDM4ENPC1

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