SCHEMBL13638883

SCHEMBL13638883

COCCNC(=O)c1cc(CN2C(C)CCC2C)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.35
PARP1 P09874 1/20 0.35
TNK1 Q13470 1/20 0.35
KMT2A Q03164 3/20 0.34
OPRK1 P41145 1/20 0.34
GPR6 P46095 5/20 0.34
CHEK1 O14757 1/20 0.34
SCD O00767 1/20 0.34
MEN1 O00255 1/20 0.34
FGFR1 P11362 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
SCHEMBL13638939 0.95 KMT2A (0.36) MCHR1KMT2AOPRK1GPR6SCD
SCHEMBL13638911 0.95 KMT2A (0.36) MCHR1KMT2AOPRK1GPR6SCD
SCHEMBL13634832 0.94 GPR6 (0.39) MCHR1PARP1TNK1KMT2AOPRK1
SCHEMBL13638989 0.94 MCHR1 (0.35) MCHR1PARP1TNK1KMT2AOPRK1
SCHEMBL13638881 0.91 SLC2A1 (0.37) MCHR1PARP1TNK1KMT2AOPRK1
SCHEMBL13638988 0.91 SLC2A1 (0.37) MCHR1PARP1TNK1KMT2AOPRK1
SCHEMBL13634599 0.91 GPR6 (0.37) KMT2AOPRK1GPR6CHEK1SCD
SCHEMBL13634794 0.91 HRH3 (0.38) PARP1TNK1KMT2AOPRK1GPR6
SCHEMBL13638933 0.90 MCHR1 (0.39) MCHR1PARP1TNK1KMT2A
SCHEMBL13638926 0.90 GPR6 (0.37) KMT2AOPRK1GPR6CHEK1SCD

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