SCHEMBL13634617

SCHEMBL13634617

CS(=O)(=O)CCNC(=O)c1cc(CN2CCOCC2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
OPRK1 P41145 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
PDE4B Q07343 1/20 0.37
F10 P00742 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
S1PR1 P21453 1/20 0.36
PARP1 P09874 1/20 0.35
TNK1 Q13470 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL2770473 0.92 KMT2A (0.44) MCHR1OPRK1KMT2AMAPTTSHR
SCHEMBL2772498 0.91 PARP1 (0.43) MCHR1OPRK1KMT2AMAPTTSHR
SCHEMBL13634567 0.90 MCHR1 (0.39) MCHR1OPRK1KMT2AMAPTTSHR
Hydrochloric Acid SCHEMBL2770260 0.89 OPRK1 (0.41) MCHR1OPRK1KMT2AMAPTTSHR
SCHEMBL2772028 0.88 OPRK1 (0.42) MCHR1OPRK1KMT2APDE4BIRAK4
SCHEMBL2770731 0.88 OPRK1 (0.42) MCHR1OPRK1KMT2AMAPTTSHR
SCHEMBL13634818 0.86 MCHR1 (0.41) MCHR1F10PARP1TNK1ACHE
SCHEMBL13638826 0.86 MCHR1 (0.40) MCHR1OPRK1KMT2APARP1TNK1
SCHEMBL13634642 0.85 PARP1 (0.40) MCHR1F10S1PR1PARP1TNK1
SCHEMBL13638933 0.85 MCHR1 (0.39) MCHR1KMT2AF10PARP1TNK1

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