SCHEMBL8715798

SCHEMBL8715798

CN(C(=O)[C@@H](Cc1ccc2ccccc2c1)NC1(C/C=C/C(=O)O)CCC1)[C@H](Cc1ccccc1)C(=O)NC1CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.41
BDKRB2 P30411 1/20 0.39
TACR1 P25103 12/20 0.38
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL6326896 0.88 GHSR (0.42) GHSRBDKRB2TACR1
SCHEMBL3394198 0.82 TACR1 (0.38) GHSRTACR1
SCHEMBL6316765 0.82 BDKRB2 (0.45) GHSRBDKRB2TACR1MMP9MMP8
SCHEMBL6319068 0.81 GHSR (0.49) GHSRBDKRB2TACR1
SCHEMBL6319064 0.81 GHSR (0.49) GHSRBDKRB2TACR1
SCHEMBL6318539 0.74 GHSR (0.58) GHSRBDKRB2TACR1
SCHEMBL6318536 0.74 GHSR (0.58) GHSRBDKRB2TACR1
SCHEMBL14527562 0.72 MMP9 (0.46) BDKRB2TACR1MMP9MMP8
SCHEMBL3266625 0.71 GHSR (0.50) GHSRTACR1
SCHEMBL3266633 0.71 GHSR (0.50) GHSRTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO disclosed