SCHEMBL13638933

SCHEMBL13638933

COCCNC(=O)c1cc(CN2CCCCC2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.39
PARP1 P09874 1/20 0.39
TNK1 Q13470 1/20 0.39
F10 P00742 2/20 0.36
UTS2R Q9UKP6 1/20 0.36
CYP2C9 P11712 1/20 0.36
GLS O94925 1/20 0.36
KMT2A Q03164 1/20 0.35
ACKR3 P25106 1/20 0.35

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
SCHEMBL13638826 0.94 MCHR1 (0.40) MCHR1PARP1TNK1UTS2RKMT2A
SCHEMBL13634684 0.94 MCHR1 (0.39) MCHR1PARP1TNK1F10UTS2R
SCHEMBL13634642 0.94 PARP1 (0.40) MCHR1PARP1TNK1F10UTS2R
SCHEMBL2770473 0.93 KMT2A (0.44) MCHR1F10CYP2C9KMT2A
SCHEMBL13638765 0.93 MCHR1 (0.37) MCHR1PARP1TNK1UTS2RKMT2A
SCHEMBL13638938 0.93 MCHR1 (0.37) MCHR1PARP1TNK1UTS2RKMT2A
SCHEMBL13638994 0.92 MCHR1 (0.37) MCHR1PARP1TNK1UTS2RKMT2A
SCHEMBL13638822 0.91 MCHR1 (0.38) MCHR1PARP1TNK1UTS2RKMT2A
SCHEMBL13634805 0.91 MCHR1 (0.38) MCHR1PARP1TNK1UTS2RACKR3
SCHEMBL13638909 0.91 MCHR1 (0.38) MCHR1PARP1TNK1UTS2RACKR3

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