SCHEMBL13634723

SCHEMBL13634723

Cc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1NC=O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
RAB9A P51151 1/20 0.61
TAS1R3 Q7RTX0 4/20 0.54
TAS1R1 Q7RTX1 4/20 0.54
TAS1R2 Q8TE23 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL13634479 0.97 NPC1 (0.57) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL15983801 0.90 NPC1 (0.73) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL13634496 0.83 NPC1 (0.50) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL13634682 0.83 NPC1 (0.50) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL13638984 0.81 TAS1R3 (0.79) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL13162940 0.81 NPC1 (0.66) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL4176567 0.81 TAS1R3 (0.79) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL14328428 0.78 NPC1 (0.58) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL13638898 0.78 TAS1R3 (0.74) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL13164078 0.78 NPC1 (0.61) NPC1RAB9ATAS1R3TAS1R1TAS1R2

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