SCHEMBL4708855

SCHEMBL4708855

O=C1NCc2c1ccc1c2CCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ DYRK1B Q9Y463 2/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ CSNK1A1 P48729 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ FABP6 P51161 1/20 0.39
▸ ALOX5 P09917 1/20 0.37
▸ HTR2A P28223 7/20 0.36
▸ HTR2C P28335 7/20 0.36
▸ HTR2B P41595 6/20 0.36
▸ HTR1A P08908 5/20 0.36
▸ HTR1D P28221 4/20 0.36
▸ LTK P29376 1/20 0.36
▸ MST1R Q04912 1/20 0.36
▸ PARP10 Q53GL7 2/20 0.35
▸ PARP11 Q9NR21 2/20 0.35
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL1143507 0.76 HTR2C (0.45) DYRK1ADYRK1BHTR2AHTR2CHTR2B
SCHEMBL12463566 0.75 ACHE (0.50) FABP6PARP10PARP11PARP1ACHE
SCHEMBL4709030 0.71 CDK5 (0.37) DYRK1ACDK5CLK4DYRK1BPIM1
SCHEMBL4708565 0.69 KDM4E (0.39) FABP6HTR2AHTR2CHTR2BHTR1A
SCHEMBL9626819 0.68 PKM (0.39) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL4708668 0.67 CDK5 (0.34) DYRK1ACDK5CLK4DYRK1BPIM1
SCHEMBL4712134 0.67 CYP1A2 (0.40) DYRK1ACDK5CLK4DYRK1BPIM1
SCHEMBL25134030 0.65 ROCK1 (0.47) DYRK1ACDK5CLK4DYRK1BPIM1
SCHEMBL14993793 0.65 HTR2C (0.36) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL9628449 0.64 HTR2A (0.41) HTR2AHTR2CHTR2BHTR1AHTR1D

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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