SCHEMBL4708565

SCHEMBL4708565

O=C1NCCc2ccc3c(c21)CCCO3

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ HTR1A P08908 9/20 0.37
▸ SLC6A4 P31645 8/20 0.37
▸ FABP6 P51161 1/20 0.37
▸ PARP1 P09874 6/20 0.37
▸ PARP10 Q53GL7 6/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ PARP11 Q9NR21 1/20 0.37
▸ F7 P08709 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34

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
SCHEMBL8889464 0.78 HTR2C (0.39) HTR1AHTR2AHTR2CHTR2BNOTUM
SCHEMBL4508514 0.74 HTR1A (0.45) KDM4EHTR1ASLC6A4PARP1PARP10
SCHEMBL4493259 0.71 HTR1A (0.44) KDM4EHTR1ASLC6A4PARP1PARP10
SCHEMBL1143507 0.70 HTR2C (0.45) HTR1AHTR2AHTR2CHTR2BHTR1D
SCHEMBL4708855 0.69 DYRK1A (0.40) HTR1AFABP6PARP1PARP10PARP11
SCHEMBL4510164 0.69 CYP1A2 (0.39) KDM4EHTR1ASLC6A4PARP1PARP10
SCHEMBL8887028 0.67 HTR2A (0.36) KDM4EHTR2AHTR2CHTR2BMTNR1A
SCHEMBL338965 0.67 MTNR1A (0.44) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL12463566 0.67 ACHE (0.50) KDM4EFABP6PARP1PARP10PDPK1
SCHEMBL14206606 0.65 HTR2A (0.34) HTR1AHTR2AHTR2CHTR2BHTR1D

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
EP-1893617-A1 TRICYCLIC COMPOUNDS USEFUL AS SEROTONIN INHIBITORS AND 5-HT1A AGONISTS AND ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 — — EP claimed
WO-2006138549-A1 TRICYCLIC COMPOUNDS USEFUL AS SEROTONIN INHIBITORS AND 5-HT1A AGONISTS AND ANTAGONISTS WYETH (US) 2006-12-28 — — WO claimed
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