SCHEMBL13634897

SCHEMBL13634897

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CCC[C@@H]4C)cc3C(=O)NCCCF)cs2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.36
SCD5 Q86SK9 2/20 0.36
RAB9A P51151 2/20 0.35
MCHR1 Q99705 1/20 0.35
BMPR1B O00238 2/20 0.34
BMPR1A P36894 2/20 0.34
TGFBR1 P36897 2/20 0.34
ACVRL1 P37023 2/20 0.34
ACVR1 Q04771 2/20 0.34
NPC1 O15118 1/20 0.34
CACNA1G O43497 4/20 0.34
SLC2A1 P11166 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
MAPT P10636 1/20 0.34
HTR3A P46098 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL15888675 0.94 DRD2 (0.34) SCDSCD5RAB9AMCHR1BMPR1B
SCHEMBL13634659 0.93 SCD (0.35) SCDSCD5RAB9AHRH3CNR2
SCHEMBL13634557 0.92 S1PR1 (0.42) SCDSCD5DRD2DRD4DRD3
SCHEMBL13634847 0.91 IRAK4 (0.37) SCDSCD5
SCHEMBL13634846 0.91 IRAK4 (0.37) SCDSCD5
SCHEMBL13634732 0.91 CHEK1 (0.35) SCDSCD5
SCHEMBL13638833 0.90 GRM2 (0.39) SCDSCD5MCHR1DRD4CNR2
SCHEMBL13634767 0.90 SCD (0.37) SCDSCD5HRH3CNR2PIM1
SCHEMBL13634738 0.89 GRM2 (0.35) SCDSCD5MCHR1LMNATP53
SCHEMBL13634691 0.89 ACKR3 (0.38) SCDSCD5HRH3CNR2

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