SCHEMBL13638994

SCHEMBL13638994

COCCNC(=O)c1cc(CN2CC(F)C2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
UTS2R Q9UKP6 1/20 0.35
PARP1 P09874 1/20 0.35
TNK1 Q13470 1/20 0.35
GPR6 P46095 5/20 0.35
SCD O00767 1/20 0.35
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
DNM1L O00429 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
SCHEMBL13638909 0.97 MCHR1 (0.38) MCHR1UTS2RPARP1TNK1GPR6
SCHEMBL13634805 0.97 MCHR1 (0.38) MCHR1UTS2RPARP1TNK1GPR6
SCHEMBL13638826 0.95 MCHR1 (0.40) MCHR1UTS2RPARP1TNK1OPRK1
SCHEMBL13634705 0.94 GPR6 (0.39) MCHR1UTS2RPARP1TNK1GPR6
SCHEMBL13638765 0.94 MCHR1 (0.37) MCHR1UTS2RPARP1TNK1GPR6
SCHEMBL13638938 0.94 MCHR1 (0.37) MCHR1UTS2RPARP1TNK1GPR6
SCHEMBL13270776 0.93 UTS2R (0.34) MCHR1UTS2RPARP1TNK1GPR6
SCHEMBL13634612 0.92 MCHR1 (0.38) MCHR1UTS2RPARP1TNK1GPR6
SCHEMBL13638933 0.92 MCHR1 (0.39) MCHR1UTS2RPARP1TNK1KMT2A
SCHEMBL13638822 0.91 MCHR1 (0.38) MCHR1UTS2RPARP1TNK1OPRK1

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