SCHEMBL13634898

SCHEMBL13634898

CC1CCC(C)N1Cc1ccc(NC(=O)c2csc(N3CCC(Oc4ncccn4)CC3)n2)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.37
SCD O00767 1/20 0.36
PARP1 P09874 1/20 0.35
TNK1 Q13470 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
CHEK1 O14757 2/20 0.35
FGFR1 P11362 1/20 0.35
PTPN1 P18031 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
MCHR1 Q99705 1/20 0.34
PRSS12 P56730 1/20 0.34
EPHX2 P34913 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
SCHEMBL13634794 0.93 HRH3 (0.38) GPR6SCDPARP1TNK1OPRK1
SCHEMBL13634696 0.92 GPR6 (0.38) GPR6SCDOPRK1KMT2ACHEK1
SCHEMBL13270466 0.92 SCD (0.35) GPR6SCDPARP1TNK1PRSS12
SCHEMBL13634832 0.91 GPR6 (0.39) GPR6SCDPARP1TNK1OPRK1
SCHEMBL13638883 0.90 MCHR1 (0.35) GPR6SCDPARP1TNK1OPRK1
SCHEMBL2770731 0.87 OPRK1 (0.42) OPRK1KMT2AMCHR1
SCHEMBL13634719 0.87 HRH3 (0.39) GPR6SCDOPRK1KMT2ACHEK1
SCHEMBL13634706 0.85 GPR6 (0.37) GPR6SCDPARP1TNK1OPRK1
SCHEMBL13634526 0.85 GPR6 (0.37) GPR6SCDPARP1TNK1OPRK1
SCHEMBL13638939 0.85 KMT2A (0.36) GPR6SCDOPRK1KMT2AMCHR1

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