SCHEMBL13638822

SCHEMBL13638822

COCCNC(=O)c1cc(CN2CC[C@@H](C)C2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.38
KMT2A Q03164 3/20 0.35
UTS2R Q9UKP6 1/20 0.35
PARP1 P09874 1/20 0.35
TNK1 Q13470 1/20 0.35
MAPT P10636 1/20 0.34
ESR2 Q92731 1/20 0.34
ACKR3 P25106 1/20 0.34
CCR3 P51677 1/20 0.33
SLC2A1 P11166 1/20 0.33
OPRK1 P41145 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
SCHEMBL13638886 1.00 MCHR1 (0.38) MCHR1KMT2AUTS2RPARP1TNK1
SCHEMBL13634861 0.94 MCHR1 (0.38) MCHR1UTS2RPARP1TNK1MAPT
SCHEMBL13634704 0.94 MCHR1 (0.38) MCHR1UTS2RPARP1TNK1MAPT
SCHEMBL13638909 0.93 MCHR1 (0.38) MCHR1UTS2RPARP1TNK1ACKR3
SCHEMBL13634805 0.93 MCHR1 (0.38) MCHR1UTS2RPARP1TNK1ACKR3
SCHEMBL13638938 0.92 MCHR1 (0.37) MCHR1KMT2AUTS2RPARP1TNK1
SCHEMBL13638765 0.92 MCHR1 (0.37) MCHR1KMT2AUTS2RPARP1TNK1
SCHEMBL13638826 0.92 MCHR1 (0.40) MCHR1KMT2AUTS2RPARP1TNK1
SCHEMBL13634612 0.92 MCHR1 (0.38) MCHR1KMT2AUTS2RPARP1TNK1
SCHEMBL13638994 0.91 MCHR1 (0.37) MCHR1KMT2AUTS2RPARP1TNK1

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