SCHEMBL7966401

SCHEMBL7966401

C[C@H](Oc1ccc(-c2ccc(F)cc2)cc1)[C@H](O)CCc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
CYP3A4 P08684 3/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTAFR P25105 5/20 0.40
ELOVL1 Q9BW60 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NAMPT P43490 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SCN9A Q15858 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 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
SCHEMBL7976521 1.00 POLB (0.41) POLBHPGDCYP3A4HTTSMN1; SMN2
SCHEMBL7976483 1.00 POLB (0.41) POLBHPGDCYP3A4HTTSMN1; SMN2
SCHEMBL7977066 0.91 PTAFR (0.42) POLBHPGDCYP3A4HTTSMN1; SMN2
SCHEMBL7966197 0.91 PTAFR (0.42) POLBHPGDCYP3A4HTTSMN1; SMN2
SCHEMBL7976881 0.91 PTAFR (0.42) POLBHPGDCYP3A4HTTSMN1; SMN2
SCHEMBL7976863 0.91 PTAFR (0.42) POLBHPGDCYP3A4HTTSMN1; SMN2
SCHEMBL7980129 0.91 PTAFR (0.42) POLBHPGDCYP3A4HTTSMN1; SMN2
SCHEMBL7978664 0.91 PTAFR (0.42) POLBHPGDCYP3A4HTTSMN1; SMN2
SCHEMBL7982762 0.88 CYP3A4 (0.45) POLBHPGDCYP3A4HTTSMN1; SMN2
SCHEMBL7830841 0.88 POLB (0.41) POLBHPGDCYP3A4HTTSMN1; 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 6 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 claimed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP claimed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO claimed
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