SCHEMBL2490932

SCHEMBL2490932

N#Cc1cnccc1N1CCCCCN1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDC42BPB Q9Y5S2 13/20 0.42
ROCK1 Q13464 10/20 0.42
ROCK2 O75116 8/20 0.42
CDC42BPA Q5VT25 5/20 0.42
GRM1 Q13255 1/20 0.35
PARP1 P09874 1/20 0.35
ELANE P08246 1/20 0.33
CHRM1 P11229 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
SCHEMBL252862 0.79 AR (0.41)
SCHEMBL30751784 0.78 ROCK2 (0.55) CDC42BPBROCK1ROCK2CDC42BPAGRM1
SCHEMBL565865 0.78 ROCK2 (0.55) CDC42BPBROCK1ROCK2CDC42BPAGRM1
SCHEMBL16339823 0.78 MAPT (0.40) CDC42BPBROCK1ROCK2CDC42BPA
SCHEMBL3345307 0.77 ROCK2 (0.59) CDC42BPBROCK1ROCK2CDC42BPAPARP1
SCHEMBL2490475 0.72 SIRT3 (0.42) ROCK2CHRM1
SCHEMBL2490935 0.71 KDM4E (0.43)
SCHEMBL4106691 0.71 AR (0.61)
SCHEMBL4091463 0.70 AR (0.63)
SCHEMBL30510121 0.69 GSK3B (0.47) CDC42BPBROCK1ROCK2CDC42BPAGRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856183-A1 alfa2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2021-08-04 EP claimed
WO-2020064479-A1 α2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2020-04-02 WO claimed
EP-2364303-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS Orion Corporation (FI) 2011-09-14 EP claimed
WO-2010058060-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2010-05-27 WO claimed
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP claimed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO claimed
EP-3856183-A1 alfa2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2021-08-04 EP disclosed
WO-2020064479-A1 α2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2020-04-02 WO disclosed
WO-2014207508-A1 PYRIDYL COMPOUND SUITABLE FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2014-12-31 WO disclosed
EP-2364303-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS Orion Corporation (FI) 2011-09-14 EP disclosed
WO-2010058060-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2010-05-27 WO disclosed
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO disclosed