SCHEMBL4720318

SCHEMBL4720318

COc1cccc(NC(=O)C2CC2)c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.82
MTNR1B P49286 3/20 0.82
TUBB4A P04350 1/20 0.73
TUBB P07437 1/20 0.73
TUBA3C P0DPH7 1/20 0.73
TUBA1B P68363 1/20 0.73
TUBA4A P68366 1/20 0.73
TUBB4B P68371 1/20 0.73
TUBB3 Q13509 1/20 0.73
TUBB2A Q13885 1/20 0.73
TUBB8 Q3ZCM7 1/20 0.73
TUBA3E Q6PEY2 1/20 0.73
TUBA1A Q71U36 1/20 0.73
TUBA1C Q9BQE3 1/20 0.73
TUBB6 Q9BUF5 1/20 0.73
TUBB2B Q9BVA1 1/20 0.73
TUBB1 Q9H4B7 1/20 0.73
ALDH1A1 P00352 2/20 0.72
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69

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
SCHEMBL12302912 0.94 MTNR1A (0.73) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL31609680 0.93 MTNR1A (0.72) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL25938747 0.93 MTNR1A (0.71) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL8642683 0.93 MTNR1A (0.71) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL30605277 0.93 MTNR1A (0.71) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL1724757 0.91 MTNR1A (0.70) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL30605276 0.88 MTNR1A (0.65) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL8143122 0.84 MTNR1B (1.00) MTNR1AMTNR1BTP53HSD17B10NPC1
SCHEMBL10294104 0.84 MTNR1A (0.60) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL10069469 0.83 KCNK9 (0.71) MTNR1AMTNR1BTUBB4ATUBBTUBA3C

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-1957495-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-08-20 EP disclosed
WO-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 WO disclosed