SCHEMBL7350352

SCHEMBL7350352

N=C(N)NCCCCCCC(=O)NC(CC(=O)O)NC(=O)CCCCCCNC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
ITGB3 P05106 10/20 0.40
ITGA2B P08514 10/20 0.40
PRMT1 Q99873 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRA1A P35348 1/20 0.38
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
NPY4R P50391 1/20 0.37
NPY5R Q15761 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL7349234 1.00 EPHX2 (0.41) EPHX2ITGB3ITGA2BPRMT1MEN1
SCHEMBL7348675 1.00 EPHX2 (0.41) EPHX2ITGB3ITGA2BPRMT1MEN1
SCHEMBL7353580 1.00 EPHX2 (0.41) EPHX2ITGB3ITGA2BPRMT1MEN1
SCHEMBL7349426 1.00 EPHX2 (0.41) EPHX2ITGB3ITGA2BPRMT1MEN1
SCHEMBL7355782 1.00 EPHX2 (0.41) EPHX2ITGB3ITGA2BPRMT1MEN1
SCHEMBL7347873 1.00 EPHX2 (0.41) EPHX2ITGB3ITGA2BPRMT1MEN1
SCHEMBL7349462 1.00 EPHX2 (0.41) EPHX2ITGB3ITGA2BPRMT1MEN1
SCHEMBL7348479 1.00 EPHX2 (0.41) EPHX2ITGB3ITGA2BPRMT1MEN1
SCHEMBL7348201 0.92 ITGB3 (0.47) EPHX2ITGB3ITGA2BKMT2AADRA1A
SCHEMBL7355927 0.92 ITGB3 (0.47) EPHX2ITGB3ITGA2BKMT2AADRA1A

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
US-5258398-A Anticoagulants; platelet aggregation inhibitors RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-11-02 US claimed
WO-1993011759-A1 ANTITHROMBOTIC DIAMINOALKANOIC ACID DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1993-06-24 WO claimed
US-5258398-A Anticoagulants; platelet aggregation inhibitors RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-11-02 US disclosed
WO-1993011759-A1 ANTITHROMBOTIC DIAMINOALKANOIC ACID DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1993-06-24 WO disclosed