SCHEMBL13634927

SCHEMBL13634927

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
PIM1 P11309 5/20 0.35
PIN1 Q13526 3/20 0.35
PIM3 Q86V86 3/20 0.35
PIM2 Q9P1W9 3/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
NAPEPLD Q6IQ20 1/20 0.34
CHEK1 O14757 1/20 0.33
NAMPT P43490 1/20 0.33
GPR6 P46095 1/20 0.33
HPGD P15428 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
SCHEMBL13634767 0.95 SCD (0.37) CNR2SCDSCD5PIM1PIN1
SCHEMBL13634578 0.92 GLS (0.39) SCDSCD5PIM1PIN1PIM3
SCHEMBL15888680 0.92 PIN1 (0.36) SCDSCD5PIM1PIN1PIM3
SCHEMBL2770287 0.92 PIN1 (0.36) SCDSCD5PIM1PIN1PIM3
SCHEMBL13638833 0.91 GRM2 (0.39) CNR2SCDSCD5PIM1PIN1
SCHEMBL13634559 0.90 ALDH1A1 (0.41)
SCHEMBL13634761 0.88 ABCB1 (0.39) CNR2SCDSCD5DRD2DRD4
SCHEMBL13270769 0.88 ITK (0.36) CNR2SCDSCD5PIM1PIN1
SCHEMBL13634738 0.88 GRM2 (0.35) CNR2SCDSCD5PIM1PIN1
SCHEMBL13270650 0.88 MAPT (0.39) SCDSCD5

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