SCHEMBL7364836

SCHEMBL7364836

O=C(Nc1ccc(C(=O)O)cc1)NC(Cc1ccccc1)CP(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.51
ROCK1 Q13464 3/20 0.51
FPR2 P25090 9/20 0.47
FOLH1 Q04609 1/20 0.45
PIN1 Q13526 1/20 0.44
PPIA P62937 1/20 0.44
CTRB1 P17538 1/20 0.43

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
SCHEMBL7363566 0.85 PIN1 (0.59) ROCK2ROCK1FOLH1PIN1CTRB1
SCHEMBL9588002 0.83 CTRB1 (0.59) ROCK2ROCK1FPR2CTRB1
SCHEMBL7368874 0.80 FOLH1 (0.53) FOLH1
SCHEMBL7362894 0.77 MME (0.58) FOLH1PIN1CTRB1
SCHEMBL7367157 0.76 NAALAD2 (0.58) FPR2FOLH1
SCHEMBL7367862 0.76 MME (0.54) PIN1CTRB1
SCHEMBL7367162 0.76 NAALAD2 (0.58) FPR2FOLH1
SCHEMBL7369997 0.75 NPC1 (0.51)
SCHEMBL7370001 0.75 NPC1 (0.51)
SCHEMBL7443024 0.75 PIN1 (0.49) PIN1CTRB1

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-0117429-B1 PHOSPHOROUS CONTAINING COMPOUNDS AS INHIBITORS OF ENKEPHALINASES SCHERING CORPORATION (US) 1987-09-02 EP claimed
EP-0117429-A1 Phosphorous containing compounds as inhibitors of enkephalinases SCHERING CORPORATION (US) 1984-09-05 EP claimed
EP-0117429-B1 PHOSPHOROUS CONTAINING COMPOUNDS AS INHIBITORS OF ENKEPHALINASES SCHERING CORPORATION (US) 1987-09-02 EP disclosed
EP-0117429-A1 Phosphorous containing compounds as inhibitors of enkephalinases SCHERING CORPORATION (US) 1984-09-05 EP disclosed