SCHEMBL8962166

SCHEMBL8962166

c1c(N2CCCCC2)nc(N2CCCC2)nc1N1CCCC1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.77
CASP5 P51878 9/20 0.77
CASP4 P49662 7/20 0.77
HRH4 Q9H3N8 3/20 0.58
CHRM3 P20309 1/20 0.57
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
USP2 O75604 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HRH1 P35367 1/20 0.52
GBA1 P04062 1/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 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
SCHEMBL29754406 0.98 CASP1 (0.80) CASP1CASP5CASP4HRH4CHRM3
SCHEMBL25025077 0.88 HRH4 (0.76) CASP1CASP5CASP4HRH4HRH1
SCHEMBL9639621 0.88 KMT2A (0.67) CASP1CASP5CASP4HRH4SMN1; SMN2
SCHEMBL6505711 0.87 CASP1 (1.00) CASP1CASP5CASP4HRH4CHRM3
SCHEMBL9492704 0.87 CASP1 (1.00) CASP1CASP5CASP4HRH4CHRM3
SCHEMBL9722891 0.87 CASP1 (0.67) CASP1CASP5CASP4HRH4CHRM3
SCHEMBL9640164 0.86 KMT2A (0.69) CASP1CASP5CASP4HRH4SMN1; SMN2
SCHEMBL2771547 0.86 CASP1 (0.59) CASP1CASP5CASP4HRH4CHRM3
SCHEMBL15582005 0.86 GBA1 (0.69) CASP1CASP5CASP4HRH4SMN1; SMN2
Hydrochloric Acid SCHEMBL11268605 0.84 HRH4 (0.76) CASP1CASP5CASP4HRH4SMN1; SMN2

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
WO-1994024146-A1 NOVEL ANDROGENS AND ANABOLIC AGENTS JENAPHARM GMBH (DE) 1994-10-27 WO claimed
EP-0694038-A1 NOVEL ANDROGENS AND ANABOLIC AGENTS Jenapharm GmbH & Co. KG (DE) 1996-01-31 EP disclosed
WO-1994024146-A1 NOVEL ANDROGENS AND ANABOLIC AGENTS JENAPHARM GMBH (DE) 1994-10-27 WO disclosed