SCHEMBL13634719

SCHEMBL13634719

COC(=O)c1cc(CN2C3CCC2CC3)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
SCD O00767 1/20 0.36
PTPN1 P18031 1/20 0.36
GPR6 P46095 4/20 0.36
OPRK1 P41145 2/20 0.35
KMT2A Q03164 1/20 0.35
CHEK1 O14757 1/20 0.35
FGFR1 P11362 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
MCHR1 Q99705 1/20 0.34
IRAK4 Q9NWZ3 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) HRH3SCDPTPN1GPR6OPRK1
SCHEMBL13634696 0.92 GPR6 (0.38) SCDPTPN1GPR6OPRK1KMT2A
SCHEMBL13634716 0.91 HRH3 (0.40) HRH3SCDPTPN1GPR6OPRK1
SCHEMBL13638989 0.91 MCHR1 (0.35) HRH3SCDGPR6OPRK1KMT2A
SCHEMBL13634583 0.90 GLS (0.39) HRH3SCDGPR6OPRK1KMT2A
SCHEMBL2772028 0.89 OPRK1 (0.42) OPRK1KMT2ASMN1; SMN2MCHR1IRAK4
SCHEMBL13634898 0.87 GPR6 (0.37) SCDPTPN1GPR6OPRK1KMT2A
SCHEMBL13638883 0.84 MCHR1 (0.35) SCDGPR6OPRK1KMT2ACHEK1
SCHEMBL13634832 0.83 GPR6 (0.39) SCDGPR6OPRK1KMT2ACHEK1
SCHEMBL13634541 0.83 OPRK1 (0.40) OPRK1KMT2ALMNASMN1; SMN2IRAK4

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