SCHEMBL7305617

SCHEMBL7305617

CN(CCc1ccccn1)C(=O)NCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.49
HSD11B1 P28845 1/20 0.49
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL10159595 0.81 HIF1A (0.55) HIF1AHSD11B1NPC1POLBRAB9A
Hydrochloric Acid SCHEMBL9554062 0.80 KDM4E (0.59) HIF1AHSD11B1POLBALDH1A1KDM4E
SCHEMBL27373120 0.80 SMN1; SMN2 (0.53) HIF1AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2755865 0.79 KDM4E (0.62) HIF1AHSD11B1NPC1POLBRAB9A
SCHEMBL12999538 0.78 SMN1; SMN2 (0.61) POLBRAB9AALDH1A1MEN1KMT2A
SCHEMBL7303820 0.76 OPRM1 (0.50) HIF1AHSD11B1NPC1POLBRAB9A
SCHEMBL424285 0.76 HIF1A (0.59) HIF1AHSD11B1NPC1POLBRAB9A
SCHEMBL11613463 0.76 HIF1A (0.53) HIF1AHSD11B1NPC1POLBRAB9A
SCHEMBL11610587 0.75 RAB9A (0.56) HSD11B1NPC1RAB9AALDH1A1MEN1
SCHEMBL31298063 0.75 MEN1 (0.67) HIF1AHSD11B1NPC1POLBRAB9A

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
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed