SCHEMBL3663681

SCHEMBL3663681

COc1cnc2c(c1)NC(=O)CN2c1cnc2c(c1)CCC(NC(=O)O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 9/20 0.37
PDE1A P54750 1/20 0.35
PDE4D Q08499 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34

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
SCHEMBL3022635 0.76 MTNR1A (0.36) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3008126 0.75 MTNR1A (0.34) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3020288 0.72 RIPK1 (0.36) MTNR1AMTNR1BRIPK1MAPK1CRBN
SCHEMBL3020759 0.71 MTNR1A (0.38) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3030115 0.69 KCNH2 (0.38) RIPK1MEN1KMT2ACRBN
SCHEMBL3663718 0.69 MTNR1A (0.34) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3009533 0.68 MTNR1A (0.36) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3016078 0.67 MTNR1A (0.35) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3016071 0.67 MTNR1A (0.35) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL20722710 0.66 MTNR1A (0.35) MTNR1AMTNR1BCA1CA2ACHE

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
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed