SCHEMBL7809457

SCHEMBL7809457

COc1ccc(Cc2ccc(CN3CCCC3)c(C)c2)c(-c2ccc(OCC3CCC(=O)N3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.41
FFAR1 O14842 1/20 0.38
CD274 Q9NZQ7 5/20 0.37
SETD7 Q8WTS6 1/20 0.36
PDCD1 Q15116 1/20 0.35
PDE2A O00408 1/20 0.35
MAOA P21397 1/20 0.35
LTA4H P09960 1/20 0.35
ACP1 P24666 1/20 0.35

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
SCHEMBL7812445 0.91 F2 (0.49) F2CD274
SCHEMBL7825326 0.85 F2 (0.51) F2CD274PDCD1
SCHEMBL6172605 0.85 F2 (0.59) F2
SCHEMBL6172597 0.85 F2 (0.59) F2
SCHEMBL7440485 0.83 F2 (0.43) F2FFAR1CD274LTA4H
SCHEMBL7830154 0.80 IRAK4 (0.35) F2CD274
SCHEMBL7830026 0.78 F2 (0.51) F2FFAR1CD274
SCHEMBL7810102 0.78 F2 (0.49) F2
SCHEMBL6173563 0.78 F2 (0.71) F2
SCHEMBL6173568 0.78 F2 (0.71) F2

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