SCHEMBL5606566

SCHEMBL5606566

CN1CCN(c2ccccc2C[C@@H]2CCN(c3ccc(OC4CCOCC4)nc3)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 4/20 0.40
ROCK2 O75116 4/20 0.40
TRPV4 Q9HBA0 1/20 0.39
BRD9 Q9H8M2 4/20 0.35
LIPE Q05469 2/20 0.35
BRPF1 P55201 3/20 0.35
BRD4 O60885 2/20 0.35
C5AR1 P21730 1/20 0.35
KAT2B Q92831 1/20 0.34
TBK1 Q9UHD2 2/20 0.34
SYK P43405 1/20 0.34
BRD7 Q9NPI1 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
SCHEMBL5606425 1.00 WDR5 (0.40) WDR5ROCK2TRPV4BRD9LIPE
SCHEMBL1737840 1.00 WDR5 (0.40) WDR5ROCK2TRPV4BRD9LIPE
SCHEMBL1738857 0.84 OPRM1 (0.41) ROCK2BRD9BRPF1BRD4KAT2B
SCHEMBL1737776 0.84 OPRM1 (0.41) ROCK2BRD9BRPF1BRD4KAT2B
SCHEMBL1738620 0.84 OPRM1 (0.41) ROCK2BRD9BRPF1BRD4KAT2B
SCHEMBL1737229 0.82 ROCK2 (0.42) ROCK2BRD9BRPF1BRD4KAT2B
SCHEMBL1738449 0.82 ROCK2 (0.42) ROCK2BRD9BRPF1BRD4KAT2B
SCHEMBL1738781 0.82 ROCK2 (0.42) ROCK2BRD9BRPF1BRD4KAT2B
SCHEMBL12295012 0.79 ROCK2 (0.41) ROCK2BRD9BRPF1BRD4BRD7
SCHEMBL12295018 0.79 ROCK2 (0.41) ROCK2BRD9BRPF1BRD4BRD7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007026219-A2 COMBINATIONS OF A 5-HT1B ANTAGONIST WITH A NORADRENALIN RE-UPTAKE INHIBITOR OR A SEROTONIN NORADRENALIN REUTAKE INHIBITOR FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-03-08 WO claimed
WO-2007026224-A2 5-HT1B ANTAGONIST COMPOSITION FOR DEPRESSION, ANXIETY AND COGNITION PFIZER PRODUCTS INC. (US) 2007-03-08 WO claimed
WO-2007026219-A2 COMBINATIONS OF A 5-HT1B ANTAGONIST WITH A NORADRENALIN RE-UPTAKE INHIBITOR OR A SEROTONIN NORADRENALIN REUTAKE INHIBITOR FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-03-08 WO disclosed
WO-2007026224-A2 5-HT1B ANTAGONIST COMPOSITION FOR DEPRESSION, ANXIETY AND COGNITION PFIZER PRODUCTS INC. (US) 2007-03-08 WO disclosed