SCHEMBL13627499

SCHEMBL13627499

OCCCN1CCN(c2c[nH]nc2-c2cc(Cl)c(O)cc2O)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 13/20 0.46
▸ HSP90AB1 P08238 12/20 0.46
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ SUV39H2 Q9H5I1 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL4494977 0.93 HSP90AA1 (0.47) HSP90AA1HSP90AB1DRD2DRD3
SCHEMBL13627477 0.87 HSP90AA1 (0.43) HSP90AA1HSP90AB1DRD2DRD3SUV39H2
SCHEMBL13627478 0.86 HSP90AA1 (0.47) HSP90AA1HSP90AB1SUV39H2
SCHEMBL13627468 0.85 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL13627504 0.84 HSP90AA1 (0.67) HSP90AA1HSP90AB1DRD2DRD3
SCHEMBL13627466 0.83 HSP90AA1 (0.59) HSP90AA1HSP90AB1DRD2DRD3KDM4E
SCHEMBL13627517 0.82 HSP90AA1 (0.53) HSP90AA1HSP90AB1
SCHEMBL13627473 0.82 HSP90AA1 (0.46) HSP90AA1HSP90AB1SUV39H2
SCHEMBL13627491 0.82 HSP90AA1 (0.65) HSP90AA1HSP90AB1DRD2DRD3LMNA
SCHEMBL13627483 0.82 HSP90AA1 (0.53) HSP90AA1HSP90AB1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612201-B2 Pyrazole compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2009-11-03 — — US disclosed
US-7612201-B2 Pyrazole compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2009-11-03 — — US disclosed
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