SCHEMBL6988942

SCHEMBL6988942

CCOP(=O)(OCC)N1CCCNCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.34
SIGMAR1 Q99720 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL3539649 0.93 TP53 (0.32) TP53TDP1TSHRSIGMAR1CHRNB2
SCHEMBL29677328 0.88 TP53 (0.39) TP53TDP1TSHRSIGMAR1MEN1
SCHEMBL7452828 0.88 TP53 (0.39) TP53TDP1TSHRSIGMAR1MEN1
SCHEMBL28499171 0.86 TP53 (0.38) TP53TDP1TSHRMEN1GAA
SCHEMBL28498569 0.86 TP53 (0.38) TP53TDP1TSHRMEN1GAA
SCHEMBL5623197 0.84 TP53 (0.42) TP53TDP1TSHRMEN1GAA
SCHEMBL8928315 0.81 TP53 (0.48) TP53TDP1TSHRMEN1GAA
SCHEMBL13575585 0.81 TP53 (0.48) TP53TDP1TSHRMEN1GAA
SCHEMBL9170191 0.73 NPSR1 (0.33) TSHRSIGMAR1
SCHEMBL29389309 0.72 KMT2A (0.58) TP53TDP1TSHRMEN1GAA

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
EP-0739345-B1 CYCLIC POLYAMINES ANORMED INC (CA) 2003-04-09 EP disclosed
US-5698546-A Cyclic polyamines JOHNSON MATTHEY PUBLIC LIMTED COMPANY (GB) 1997-12-16 US disclosed
EP-0739345-A1 CYCLIC POLYAMINES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1996-10-30 EP disclosed
WO-1995018808-A1 CYCLIC POLYAMINES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1995-07-13 WO disclosed