SCHEMBL15933346

SCHEMBL15933346

C(CCCCCN1CCCCC1)CCCCN1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 1.00
MAPT P10636 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
CYP1A2 P05177 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CXCR4 P61073 1/20 0.52
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL9371058 1.00 HRH3 (1.00) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL9126300 1.00 HRH3 (1.00) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL9370421 1.00 HRH3 (1.00) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL557955 1.00 HRH3 (1.00) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL3156252 1.00 HRH3 (1.00) HRH3MAPTSIGMAR1CYP1A2MAPK1
Bromide SCHEMBL10774236 0.97 HRH3 (0.94) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL15462284 0.97 HRH3 (0.93) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL1882477 0.97 HRH3 (0.93) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL15762056 0.97 HRH3 (0.93) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL5665906 0.97 HRH3 (0.93) HRH3MAPTSIGMAR1CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951188-B1 PHOSPHORUS LIGANDS AND METHOD FOR THE SELECTIVE RUTHENIUM-CATALYZED HYDROAMINOMETHYLATION OF OLEFINS EVONIK DEGUSSA GMBH (DE) 2017-05-10 EP disclosed
EP-2951188-B1 PHOSPHORUS LIGANDS AND METHOD FOR THE SELECTIVE RUTHENIUM-CATALYZED HYDROAMINOMETHYLATION OF OLEFINS EVONIK DEGUSSA GMBH (DE) 2017-05-10 EP disclosed
WO-2014118038-A1 PHOSPHORUS LIGANDS AND METHOD FOR THE SELECTIVE RUTHENIUM-CATALYZED HYDROAMINOMETHYLATION OF OLEFINS EVONIK INDUSTRIES AG (DE) 2014-08-07 WO disclosed