SCHEMBL6601182

SCHEMBL6601182

CCOC(=O)c1nnc([C@@H](Cc2ccccc2)N(C)C(=O)OC(C)(C)C)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 7/20 0.42
NPSR1 Q6W5P4 6/20 0.42
HPGD P15428 5/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 4/20 0.42
XBP1 P17861 2/20 0.42
JAK2 O60674 2/20 0.42
S1PR4 O95977 1/20 0.42
HSP90AA1 P07900 1/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 4/20 0.40
PKM P14618 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 1/20 0.40
AGTR1 P30556 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL27495080 0.89 ALDH1A1 (0.43) TSHRALDH1A1NPSR1HPGDLMNA
SCHEMBL6600320 0.87 ALDH1A1 (0.42) TSHRALDH1A1NPSR1HPGDLMNA
SCHEMBL6601186 0.77 TSHR (0.54) TSHRALDH1A1NPSR1HPGDLMNA
SCHEMBL6600521 0.74 GHSR (0.39) TSHRALDH1A1NPSR1HPGDLMNA
SCHEMBL6600202 0.73 MMP8 (0.46) TSHRALDH1A1LMNAHTTHSD17B10
SCHEMBL6600363 0.72 MMP2 (0.41)
SCHEMBL6600361 0.72 MMP2 (0.41)
SCHEMBL14952229 0.71 ALDH1A1 (0.44) TSHRALDH1A1NPSR1HPGDLMNA
SCHEMBL8724334 0.70 ITGA4 (0.49) ALDH1A1HTTTHRBHSD17B10ITGA4
SCHEMBL22272730 0.70 CYP3A4 (0.44) TSHRALDH1A1NPSR1HPGDLMNA

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-0805816-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2004-07-28 EP disclosed
US-6350767-B1 GROWTH HORMONE RELEASE STIMULANT NOVO NORDISK A/S (DK) 2002-02-26 US disclosed
US-6013658-A ANIMAL GROWTH REGULATORS NOVO NORDISK A/S (DK) 2000-01-11 US disclosed
WO-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 WO disclosed