SCHEMBL13638989

SCHEMBL13638989

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.35
KMT2A Q03164 2/20 0.35
OPRK1 P41145 1/20 0.35
GPR6 P46095 5/20 0.35
SCD O00767 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.34
PARP1 P09874 1/20 0.34
TNK1 Q13470 1/20 0.34
ACKR3 P25106 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2J2 P51589 1/20 0.33

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
SCHEMBL13638883 0.94 MCHR1 (0.35) MCHR1KMT2AOPRK1GPR6SCD
SCHEMBL13634583 0.94 GLS (0.39) MCHR1KMT2AOPRK1GPR6SCD
SCHEMBL13634599 0.92 GPR6 (0.37) KMT2AOPRK1GPR6SCDHRH3
SCHEMBL13638911 0.91 KMT2A (0.36) MCHR1KMT2AOPRK1GPR6SCD
SCHEMBL13638939 0.91 KMT2A (0.36) MCHR1KMT2AOPRK1GPR6SCD
SCHEMBL13638933 0.91 MCHR1 (0.39) MCHR1KMT2APARP1TNK1ACKR3
SCHEMBL13638926 0.91 GPR6 (0.37) KMT2AOPRK1GPR6SCDMEN1
SCHEMBL13634719 0.91 HRH3 (0.39) MCHR1KMT2AOPRK1GPR6SCD
SCHEMBL13638938 0.90 MCHR1 (0.37) MCHR1KMT2AOPRK1GPR6SCD
SCHEMBL13638765 0.90 MCHR1 (0.37) MCHR1KMT2AOPRK1GPR6SCD

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