SCHEMBL6721906

SCHEMBL6721906

CCN(CC)CCCCOc1ccc2[nH]cc(C(=O)Nc3ccccn3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40
GRM5 P41594 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HTR2C P28335 1/20 0.39
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 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
SCHEMBL6734017 0.97 RXFP1 (0.43) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL6727000 0.94 RXFP1 (0.44) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL6726955 0.92 NPC1 (0.41) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL6726254 0.89 NPC1 (0.42) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL6726671 0.88 PIM1 (0.43) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL6722035 0.88 HTR2C (0.44) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL6722139 0.86 RXFP1 (0.54) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL6728799 0.84 NPC1 (0.41) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL6729649 0.84 HTR2C (0.47) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL6722076 0.83 MEN1 (0.42) RXFP1MEN1KMT2ANPC1RAB9A

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