SCHEMBL7979906

SCHEMBL7979906

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 7/20 0.44
P2RX7 Q99572 1/20 0.42
GRM5 P41594 1/20 0.41
CLK4 Q9HAZ1 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
LMNA P02545 1/20 0.38
ACP1 P24666 1/20 0.38
KCNA5 P22460 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 1/20 0.37
PTGER2 P43116 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
SCHEMBL7978603 1.00 PTAFR (0.44) PTAFRP2RX7GRM5CLK4GRIN1
Oxalic Acid SCHEMBL7966040 0.95 PTAFR (0.45) PTAFRP2RX7GRM5GRIN1GRIN2B
Oxalic Acid SCHEMBL7980200 0.95 PTAFR (0.45) PTAFRP2RX7GRM5GRIN1GRIN2B
SCHEMBL7982762 0.90 CYP3A4 (0.45) PTAFRLMNAPOLBHPGDHTT
SCHEMBL7982766 0.90 CYP3A4 (0.45) PTAFRLMNAPOLBHPGDHTT
SCHEMBL7966572 0.88 P2RX7 (0.43) PTAFRP2RX7LMNAPOLBHPGD
SCHEMBL7966197 0.88 PTAFR (0.42) PTAFRLMNAPOLBHPGDHTT
SCHEMBL7976863 0.88 PTAFR (0.42) PTAFRLMNAPOLBHPGDHTT
SCHEMBL7977066 0.88 PTAFR (0.42) PTAFRLMNAPOLBHPGDHTT
SCHEMBL7980129 0.88 PTAFR (0.42) PTAFRLMNAPOLBHPGDHTT

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 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