SCHEMBL5168021

SCHEMBL5168021

CCNC(=O)CNC(=O)c1ccc(Cc2cn(CC)c3cc(C#N)ccc23)c(-c2ccc(C)cc2C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 4/20 0.38
▸ PLA2G4A P47712 1/20 0.34
▸ LTB4R Q15722 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ HAT1 O14929 4/20 0.33
▸ EP300 Q09472 4/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ GPR139 Q6DWJ6 1/20 0.33
▸ PTGER3 P43115 1/20 0.32
▸ P2RY14 Q15391 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ AR P10275 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA7 P43166 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
SCHEMBL4805310 0.95 PTGER4 (0.35) PTGER4PLA2G4ALTB4RKDM1AGPR139
SCHEMBL4815141 0.89 PTGER4 (0.34) PTGER4PLA2G4ALTB4RHAT1EP300
SCHEMBL4812228 0.87 F7 (0.36) —
SCHEMBL4805981 0.86 ROCK2 (0.38) PTGER4PLA2G4ALTB4RKDM1AP2RY14
SCHEMBL4811266 0.82 PTGER4 (0.36) PTGER4PLA2G4ALTB4RPTGER3
SCHEMBL4811462 0.82 F7 (0.36) —
SCHEMBL4805301 0.81 KDM1A (0.36) PLA2G4ALTB4RKDM1ANR3C1PGR
SCHEMBL4812944 0.81 PLA2G4A (0.38) PLA2G4ALTB4RKDM1A
SCHEMBL4815680 0.80 PTPRC (0.37) PTGER4PLA2G4ALTB4R
SCHEMBL4806248 0.78 F2 (0.45) PLA2G4ACA12CA1

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-1740538-A4 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-12-19 — — EP disclosed
EP-1740538-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-10 — — EP disclosed
WO-2005099709-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-27 — — WO disclosed
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