SCHEMBL5728491

SCHEMBL5728491

NCCCCN1CCC(=C2c3ccccc3CSc3ccccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
SETD7 Q8WTS6 4/20 0.46
DRD3 P35462 4/20 0.46
CHRM2 P08172 2/20 0.46
HTR1A P08908 2/20 0.46
ADRA2A P08913 2/20 0.46
CHRM1 P11229 2/20 0.46
DRD1 P21728 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
ADRA1A P35348 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 1/20 0.46
TBXA2R P21731 1/20 0.46
CYP2C19 P33261 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD2 P14416 2/20 0.44

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
SCHEMBL7682349 0.87 FNTA (0.53) FNTAFNTBSETD7DRD3CHRM2
SCHEMBL9844279 0.84 FNTA (0.54) FNTAFNTBSETD7DRD3CHRM2
Hydrochloric Acid SCHEMBL5728654 0.84 DRD3 (0.61) FNTAFNTBDRD3HTR1ADRD2
SCHEMBL5729262 0.84 LMNA (0.52) FNTAFNTBSETD7DRD3CHRM2
SCHEMBL7674794 0.84 FNTA (0.55) FNTAFNTBSETD7DRD3CHRM2
SCHEMBL9844244 0.83 FNTA (0.53) FNTAFNTBSETD7DRD3CHRM2
SCHEMBL9844384 0.83 FNTA (0.53) FNTAFNTBSETD7DRD3CHRM2
Hydrochloric Acid SCHEMBL9844374 0.83 FNTA (0.53) FNTAFNTBSETD7DRD3CHRM2
SCHEMBL9844251 0.83 FNTA (0.53) FNTAFNTBSETD7DRD3CHRM2
SCHEMBL7676763 0.83 FNTA (0.55) FNTAFNTBSETD7DRD3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044197-B1 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKYNE CARBOXAMIDES AS CYTOSTATIC AGENTS AND IMMUNOSUPPRESSANTS ASTELLAS PHARMA GMBH (DE) 2006-04-19 EP disclosed
US-6593344-B1 These substances have especially high cytostatic activities and pronounced immunosuppressive properties which make them suitable for therapeutic treatment in broad tumor spectrum and autoimmune diseases KLINGE PHARMA GMBH (DE) 2003-07-15 US disclosed