SCHEMBL7966043

SCHEMBL7966043

C[C@H](Oc1ccc(-c2cccc(Cl)c2)cc1)[C@@H](CCc1cccnc1)OC(=O)C(=O)O[C@H](CCc1cccnc1)[C@H](C)Oc1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 8/20 0.45
P2RX7 Q99572 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
GRM5 P41594 1/20 0.38
PSMB5 P28074 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL7980204 1.00 PTAFR (0.45) PTAFRP2RX7GRIN1GRIN2BMME
SCHEMBL7980157 0.90 PTAFR (0.42) PTAFRP2RX7POLBHPGDHTT
SCHEMBL7978603 0.85 PTAFR (0.44) PTAFRP2RX7GRIN1GRIN2BPOLB
SCHEMBL7979906 0.85 PTAFR (0.44) PTAFRP2RX7GRIN1GRIN2BPOLB
Oxalic Acid SCHEMBL7966040 0.85 PTAFR (0.45) PTAFRP2RX7GRIN1GRIN2BMME
Oxalic Acid SCHEMBL7980200 0.85 PTAFR (0.45) PTAFRP2RX7GRIN1GRIN2BMME
SCHEMBL8481823 0.81 PTAFR (0.44) PTAFRP2RX7GRIN1GRIN2BMME
SCHEMBL8483438 0.81 PTAFR (0.44) PTAFRP2RX7GRIN1GRIN2BMME
SCHEMBL8481170 0.81 PTAFR (0.44) PTAFRP2RX7GRIN1GRIN2BMME
SCHEMBL8476738 0.81 PTAFR (0.42) PTAFRP2RX7GRIN1GRIN2BSMN1; SMN2

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
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed