SCHEMBL5605536

SCHEMBL5605536

C[C@@H]1CN(c2ccccc2CC2CCN(c3ccc(C4(O)CCOCC4)cc3)C2=O)C[C@H](C)N1C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.37
SIGMAR1 Q99720 13/20 0.35
RORC P51449 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
LIPE Q05469 1/20 0.33

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
SCHEMBL5606762 1.00 ROCK2 (0.37) ROCK2SIGMAR1RORCHRH3LIPE
SCHEMBL5605532 1.00 ROCK2 (0.37) ROCK2SIGMAR1RORCHRH3LIPE
SCHEMBL1738865 1.00 ROCK2 (0.37) ROCK2SIGMAR1RORCHRH3LIPE
SCHEMBL5610451 0.92 ROCK2 (0.38) ROCK2SIGMAR1LIPE
SCHEMBL1738782 0.92 ROCK2 (0.38) ROCK2SIGMAR1LIPE
SCHEMBL5606426 0.92 ROCK2 (0.38) ROCK2SIGMAR1LIPE
SCHEMBL5606432 0.92 ROCK2 (0.38) ROCK2SIGMAR1LIPE
SCHEMBL1738748 0.88 SIGMAR1 (0.35) ROCK2SIGMAR1LIPE
SCHEMBL1740166 0.84 FPR2 (0.36) ROCK2SIGMAR1HRH3
SCHEMBL1738839 0.84 FPR2 (0.36) ROCK2SIGMAR1HRH3

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 5 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-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
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