SCHEMBL13634696

SCHEMBL13634696

O=C(Nc1ccc(CN2C3CCC2CC3)cc1C(=O)O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 2/20 0.38
SCD O00767 1/20 0.37
OPRK1 P41145 2/20 0.37
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 1/20 0.36
PTPN1 P18031 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
MCHR1 Q99705 1/20 0.35
PRSS12 P56730 1/20 0.35
CHEK1 O14757 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP2J2 P51589 1/20 0.34
FGFR1 P11362 1/20 0.34
PPARG P37231 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
SCHEMBL13634898 0.92 GPR6 (0.37) GPR6SCDOPRK1KMT2APTPN1
SCHEMBL13634719 0.92 HRH3 (0.39) GPR6SCDOPRK1KCNH2KMT2A
SCHEMBL13634583 0.90 GLS (0.39) GPR6SCDOPRK1KMT2AHDAC3
SCHEMBL13638989 0.89 MCHR1 (0.35) GPR6SCDOPRK1KMT2AMCHR1
SCHEMBL2770731 0.89 OPRK1 (0.42) OPRK1KMT2AMCHR1
SCHEMBL13634794 0.86 HRH3 (0.38) GPR6SCDOPRK1KMT2APTPN1
SCHEMBL13270466 0.84 SCD (0.35) GPR6SCDPRSS12CYP2C9CYP2C19
SCHEMBL13634832 0.83 GPR6 (0.39) GPR6SCDOPRK1KMT2AHDAC3
SCHEMBL13634716 0.83 HRH3 (0.40) GPR6SCDOPRK1KMT2APTPN1
SCHEMBL13638883 0.83 MCHR1 (0.35) 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