SCHEMBL7976863

SCHEMBL7976863

C[C@H](Oc1ccc(-c2ccccc2)cc1)[C@@H](O)CCc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 3/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
MMP12 P39900 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ADAMTS4 O75173 2/20 0.40
ECE1 P42892 1/20 0.40
PSMB5 P28074 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
PPARG P37231 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL7966197 1.00 PTAFR (0.42) PTAFRPOLBHPGDHTTSMN1; SMN2
SCHEMBL7977066 1.00 PTAFR (0.42) PTAFRPOLBHPGDHTTSMN1; SMN2
SCHEMBL7976881 1.00 PTAFR (0.42) PTAFRPOLBHPGDHTTSMN1; SMN2
SCHEMBL7980129 1.00 PTAFR (0.42) PTAFRPOLBHPGDHTTSMN1; SMN2
SCHEMBL7978664 1.00 PTAFR (0.42) PTAFRPOLBHPGDHTTSMN1; SMN2
SCHEMBL7966401 0.91 POLB (0.41) PTAFRPOLBHPGDHTTSMN1; SMN2
SCHEMBL7982762 0.91 CYP3A4 (0.45) PTAFRPOLBHPGDHTTSMN1; SMN2
SCHEMBL7830841 0.91 POLB (0.41) PTAFRPOLBHPGDHTTSMN1; SMN2
SCHEMBL7976521 0.91 POLB (0.41) PTAFRPOLBHPGDHTTSMN1; SMN2
SCHEMBL7982766 0.91 CYP3A4 (0.45) PTAFRPOLBHPGDHTTSMN1; 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