SCHEMBL5099632

SCHEMBL5099632

CN(CCCCN)CCN(C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
SIGMAR1 Q99720 5/20 0.45
HTR2A P28223 2/20 0.42
HRH1 P35367 2/20 0.42
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38

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
SCHEMBL14288496 0.83 SIGMAR1 (0.44) SIGMAR1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL9514760 0.81 CARM1 (0.47) CHRM2HTR2AHRH1CARM1PRMT6
SCHEMBL9574797 0.80 SIGMAR1 (0.59) CHRM2SIGMAR1HTR2AHRH1CARM1
SCHEMBL9574675 0.75 SLC6A2 (0.68) CHRM2SIGMAR1HTR2AHRH1SLC6A2
SCHEMBL13060870 0.75 HTR2A (0.57) CHRM2HTR2AHRH1SLC6A2SLC6A4
SCHEMBL9502040 0.74 KCNH2 (0.46) SIGMAR1HTR2AHRH1
SCHEMBL5099621 0.74 GRIN1 (0.50) CHRM2SIGMAR1HTR2AHRH1SLC6A2
SCHEMBL9155641 0.73 SIGMAR1 (0.73) CHRM2SIGMAR1CARM1PRMT6PRMT8
SCHEMBL27611422 0.73 KCNH2 (0.49) SIGMAR1HTR2AHRH1
SCHEMBL10513477 0.71 HTR2A (0.47) CHRM2SIGMAR1HTR2AHRH1SLC6A2

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
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed
EP-1042291-B1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2005-07-13 EP disclosed
EP-1042291-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed