SCHEMBL13638823

SCHEMBL13638823

COCCNC(=O)c1cc(CN2CCO[C@H](COC)C2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.41
GRM2 Q14416 1/20 0.36
AXL P30530 1/20 0.36
MCHR1 Q99705 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
KMT2A Q03164 1/20 0.34
PARP1 P09874 1/20 0.34
TNK1 Q13470 1/20 0.34

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
SCHEMBL13638818 1.00 DRD4 (0.41) DRD4GRM2AXLMCHR1SIGMAR1
SCHEMBL2770473 0.91 KMT2A (0.44) MCHR1KMT2A
SCHEMBL13634817 0.90 DRD4 (0.45) DRD4GRM2MCHR1SIGMAR1KMT2A
SCHEMBL13634530 0.90 DRD4 (0.45) DRD4GRM2MCHR1SIGMAR1KMT2A
SCHEMBL13638830 0.90 DRD4 (0.42) DRD4GRM2SIGMAR1KMT2A
SCHEMBL13638937 0.90 IRAK4 (0.38) AXLKMT2A
SCHEMBL13638822 0.89 MCHR1 (0.38) MCHR1KMT2APARP1TNK1
SCHEMBL13638909 0.89 MCHR1 (0.38) MCHR1PARP1TNK1
SCHEMBL13634805 0.89 MCHR1 (0.38) MCHR1PARP1TNK1
SCHEMBL13638886 0.89 MCHR1 (0.38) MCHR1KMT2APARP1TNK1

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