SCHEMBL7284901

SCHEMBL7284901

CCN(CC)CCNNCCN(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT1 Q99873 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 2/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
KMT2A Q03164 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6860095 0.88 TDP1 (0.40) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL10713651 0.84 CYP2C9 (0.54) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL6137091 0.80 TDP1 (0.41) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL11482420 0.78 PRMT3 (0.48) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL7241259 0.75 ALDH1A1 (0.48) CYP2C19ALDH1A1CA1CA2CA12
SCHEMBL48738 0.74 CA12 (0.47) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL9726343 0.74 CA12 (0.47) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL6142093 0.73 TDP1 (0.56) CYP2C19CYP2C9ALDH1A1KMT2ALMNA
SCHEMBL4258818 0.72 TDP1 (0.48) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL229973 0.71 PAOX (0.43) CYP2C19CYP2C9ALDH1A1SIGMAR1KMT2A

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-0659761-B1 New 17-iminomethylalkenyl-5beta-14beta-androstane and 17-iminoalkyl-5beta-14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1998-04-22 EP disclosed
EP-0659761-A2 New 17-iminomethylalkenyl-5beta-14beta-androstane and 17-iminoalkyl-5beta-14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1995-06-28 EP disclosed