SCHEMBL6729649

SCHEMBL6729649

O=C(Nc1ccccn1)c1c[nH]c2ccc(OCCCc3ccccn3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
GRM5 P41594 3/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL6722035 0.88 HTR2C (0.44) HTR2CNPC1RAB9AMEN1KMT2A
SCHEMBL6729656 0.86 HTR2C (0.42) HTR2CSMN1; SMN2
SCHEMBL6722076 0.85 MEN1 (0.42) HTR2CNPC1RAB9AMEN1KMT2A
SCHEMBL6726254 0.85 NPC1 (0.42) HTR2CNPC1RAB9AMEN1KMT2A
SCHEMBL6722139 0.85 RXFP1 (0.54) HTR2CNPC1RAB9AMEN1KMT2A
SCHEMBL6728799 0.85 NPC1 (0.41) HTR2CNPC1RAB9AMEN1KMT2A
SCHEMBL6734017 0.85 RXFP1 (0.43) HTR2CNPC1RAB9AMEN1KMT2A
SCHEMBL6726955 0.85 NPC1 (0.41) HTR2CNPC1RAB9AMEN1KMT2A
SCHEMBL6726671 0.84 PIM1 (0.43) HTR2CNPC1RAB9AMEN1KMT2A
SCHEMBL6721906 0.84 RXFP1 (0.42) HTR2CNPC1RAB9AMEN1KMT2A

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