SCHEMBL4397007

SCHEMBL4397007

Nc1ncnc2cc(CCN3CCNCC3=O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.47
SUV39H1 O43463 1/20 0.34
PRMT1 Q99873 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
SCN9A Q15858 1/20 0.34
HSP90AB1 P08238 4/20 0.33
IP6K1 Q92551 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL1651553 0.90 F10 (0.56) F10HSP90AB1IP6K1KCNH2HRH4
Hydrochloric Acid SCHEMBL4385581 0.89 F10 (0.56) F10HSP90AB1IP6K1KCNH2HRH4
SCHEMBL4392988 0.78 F10 (0.47) F10
SCHEMBL7559434 0.76 F10 (0.49) F10KCNH2
SCHEMBL7555945 0.76 F10 (0.46) F10KCNH2
SCHEMBL14896010 0.75 KCNH2 (0.57) SCN9AKCNH2
SCHEMBL27527040 0.75 F10 (0.40) F10HSP90AB1KCNH2HRH4HRH3
SCHEMBL7408221 0.75 F10 (0.41) F10
SCHEMBL7402683 0.74 F10 (0.40) F10HSP90AB1KCNH2
SCHEMBL7542716 0.73 F10 (0.56) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed