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SCHEMBL13638939

SCHEMBL13638939

COCCNC(=O)c1cc(CN2[C@H](C)COC[C@@H]2C)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ IRAK4 Q9NWZ3 3/20 0.33
▸ INSR P06213 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ GPR6 P46095 3/20 0.33
▸ SCD O00767 1/20 0.33
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL13638911 1.00 KMT2A (0.36) KMT2AOPRK1MCHR1IRAK4INSR
SCHEMBL13638883 0.95 MCHR1 (0.35) KMT2AOPRK1MCHR1GPR6SCD
SCHEMBL13634706 0.94 GPR6 (0.37) KMT2AOPRK1MCHR1IRAK4INSR
SCHEMBL13634526 0.94 GPR6 (0.37) KMT2AOPRK1MCHR1IRAK4INSR
SCHEMBL13638989 0.91 MCHR1 (0.35) KMT2AOPRK1MCHR1GPR6SCD
SCHEMBL2770473 0.90 KMT2A (0.44) KMT2AOPRK1MCHR1IRAK4MEN1
SCHEMBL13638881 0.89 SLC2A1 (0.37) KMT2AOPRK1MCHR1GPR6
SCHEMBL13638988 0.89 SLC2A1 (0.37) KMT2AOPRK1MCHR1GPR6
SCHEMBL13638826 0.89 MCHR1 (0.40) KMT2AOPRK1MCHR1
SCHEMBL13634832 0.89 GPR6 (0.39) KMT2AOPRK1MCHR1GPR6SCD

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 — — US disclosed