SCHEMBL7413823

SCHEMBL7413823

CNc1ccc(C(C)(NC(=O)OC(C)(C)C)C(=O)N2CCCC2)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
PRKCI P41743 1/20 0.36
AAK1 Q2M2I8 5/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NR1I3 Q14994 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL4449996 1.00 ALOX15 (0.38) ALOX15PRKCIAAK1GAARAB9A
SCHEMBL7981483 0.86 PRKCI (0.39) PRKCIGAARAB9ANPC1SMN1; SMN2
SCHEMBL7412611 0.84 HCAR3 (0.41) GAARAB9ANPC1NPSR1HTT
SCHEMBL4443935 0.84 HCAR3 (0.41) GAARAB9ANPC1NPSR1HTT
SCHEMBL7100641 0.83 AAK1 (0.38) ALOX15PRKCIAAK1RAB9ANPC1
SCHEMBL13099959 0.76 HPGD (0.43) GAASMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL7411883 0.75 AAK1 (0.41) PRKCIAAK1
SCHEMBL7411897 0.74 MAPK1 (0.44) GAANPSR1MEN1KMT2AALDH1A1
SCHEMBL7476265 0.71 ALOX15 (0.36) ALOX15PRKCIRAB9ANPC1SMN1; SMN2
SCHEMBL7979459 0.70 HCAR3 (0.47) RAB9ANPC1HTTMEN1KMT2A

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-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed