SCHEMBL7811797

SCHEMBL7811797

COc1c[c]c(Cc2ccc(CN3CCCC3)c(C)c2)c(N(C)C(=O)C2CCC(=O)N2)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 2/20 0.35
MLNR O43193 2/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 2/20 0.33
PFKFB3 Q16875 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCHR1 Q99705 1/20 0.32
PARP1 P09874 1/20 0.32
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
F2 P00734 1/20 0.31

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
SCHEMBL7817381 0.91 PARP1 (0.34) L3MBTL1MAPK1MLNRALDH1A1KDM4E
SCHEMBL7830154 0.78 IRAK4 (0.35) MAPK1KMT2AMEN1ALDH1A1TSHR
SCHEMBL7445212 0.69 F2 (0.46) KMT2AMEN1KDM4ESMN1; SMN2TDP1
SCHEMBL7809457 0.68 F2 (0.41) F2
SCHEMBL7819870 0.67 PARP1 (0.41) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7825998 0.65 PFKFB3 (0.44) KMT2AALDH1A1LMNAGAAPFKFB3
SCHEMBL7818700 0.64 MEN1 (0.41) MAPK1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7812445 0.64 F2 (0.49) F2
SCHEMBL7818112 0.64 S1PR1 (0.47) KMT2AMEN1MCHR1F2
SCHEMBL7819938 0.62 F2 (0.37) MAPK1KDM4EF2

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
EP-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed