SCHEMBL13634612

SCHEMBL13634612

COCCNC(=O)c1cc(CN2C[C@@H](C)O[C@@H](C)C2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.38
PARP1 P09874 1/20 0.35
TNK1 Q13470 1/20 0.35
KMT2A Q03164 2/20 0.34
OPRK1 P41145 1/20 0.34
UTS2R Q9UKP6 1/20 0.33
GPR6 P46095 3/20 0.33
SCD O00767 1/20 0.33
METTL3 Q86U44 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
SCHEMBL13638938 0.93 MCHR1 (0.37) MCHR1PARP1TNK1KMT2AOPRK1
SCHEMBL13638765 0.93 MCHR1 (0.37) MCHR1PARP1TNK1KMT2AOPRK1
SCHEMBL13638994 0.92 MCHR1 (0.37) MCHR1PARP1TNK1KMT2AOPRK1
SCHEMBL13638886 0.92 MCHR1 (0.38) MCHR1PARP1TNK1KMT2AOPRK1
SCHEMBL13638822 0.92 MCHR1 (0.38) MCHR1PARP1TNK1KMT2AOPRK1
SCHEMBL2770473 0.91 KMT2A (0.44) MCHR1KMT2AOPRK1
SCHEMBL13638933 0.91 MCHR1 (0.39) MCHR1PARP1TNK1KMT2AUTS2R
SCHEMBL13638909 0.90 MCHR1 (0.38) MCHR1PARP1TNK1UTS2RGPR6
SCHEMBL13634805 0.90 MCHR1 (0.38) MCHR1PARP1TNK1UTS2RGPR6
SCHEMBL13634684 0.90 MCHR1 (0.39) MCHR1PARP1TNK1UTS2R

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