SCHEMBL7362963

SCHEMBL7362963

O=C(NCCC(C(=O)O)c1nc2ccccc2[nH]1)C(Cc1ccccc1)CP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.40
FPR1 P21462 1/20 0.40
HTT P42858 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL7365724 0.78 PIN1 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9314968 0.72 IDO1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7433448 0.71 ALDH1A1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7318461 0.71 ACE (0.70)
SCHEMBL7367809 0.71 ACE (0.70)
SCHEMBL7367811 0.71 ACE (0.70)
SCHEMBL7366135 0.70 FOLH1 (0.47) CYP1A2
SCHEMBL10789074 0.70 ACE (0.68)
SCHEMBL10791111 0.70 ACE (0.68)
SCHEMBL7367028 0.70 FOLH1 (0.55) CYP1A2

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