SCHEMBL6733766

SCHEMBL6733766

O=C(Nc1ccccn1)c1c[nH]c2ccc(OCCCN3CCOCC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.46
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1F P30939 1/20 0.42
TRPV4 Q9HBA0 2/20 0.41
EPHX2 P34913 4/20 0.41
TEC P42680 1/20 0.41
TXK P42681 1/20 0.41
BLK P51451 1/20 0.41
BMX P51813 1/20 0.41
BTK Q06187 1/20 0.41
ERBB4 Q15303 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
VCP P55072 1/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40

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
SCHEMBL6726989 0.96 TEC (0.44) METHTR1AHTR1DHTR1BHTR1F
SCHEMBL6734018 0.92 MET (0.51) METHTR1AHTR1DHTR1BHTR1F
SCHEMBL6724794 0.91 MET (0.53) METHTR1AHTR1DHTR1BHTR1F
SCHEMBL6726991 0.90 HTR1A (0.48) METHTR1AHTR1DHTR1BHTR1F
SCHEMBL6724701 0.88 MET (0.48) METHTR1AHTR1DHTR1BHTR1F
SCHEMBL6724792 0.86 HTR1A (0.49) METHTR1AHTR1DHTR1BHTR1F
SCHEMBL6722076 0.86 MEN1 (0.42) METHTR1AHTR1DHTR1BHTR1F
SCHEMBL6724797 0.84 KDM4E (0.46) METHTR1AHTR1DHTR1BHTR1F
SCHEMBL6722035 0.82 HTR2C (0.44) HTR1AHTR1DHTR1BHTR1FKDM4E
SCHEMBL6726264 0.82 PRKAB2 (0.53) EPHX2KDM4EPRKAB2PRKAG1PRKAA2

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