SCHEMBL13634311

SCHEMBL13634311

CO[C@H]1CCN(c2nc(C(=O)O)cs2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
PTGER1 P34995 2/20 0.46
SCD O00767 1/20 0.43
LDHA P00338 2/20 0.40
OGA O60502 1/20 0.40
PIN1 Q13526 3/20 0.40
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL13162579 1.00 HRH3 (0.47) HRH3PTGER1SCDLDHAOGA
SCHEMBL3554282 0.92 HRH3 (0.44) HRH3PTGER1SCDLDHAOGA
SCHEMBL3435877 0.92 HRH3 (0.52) HRH3PTGER1SCDLDHAOGA
SCHEMBL2770634 0.89 PTGER1 (0.41) HRH3PTGER1LDHAOGASMN1; SMN2
SCHEMBL13161921 0.88 HRH3 (0.60) HRH3SCDPIN1RAB9ASMN1; SMN2
SCHEMBL13163986 0.86 HRH3 (0.43) HRH3PTGER1SCDLDHAOGA
SCHEMBL13270613 0.86 HRH3 (0.45) HRH3PTGER1SCDPIN1RAB9A
SCHEMBL15888538 0.84 HRH3 (0.48) HRH3OGARAB9ASMN1; SMN2ALDH1A1
SCHEMBL13162807 0.82 HRH3 (0.48) HRH3PTGER1SCDLDHAOGA
SCHEMBL2079085 0.82 HRH3 (0.54) HRH3PTGER1SCDLDHAOGA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
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
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP disclosed