SCHEMBL8205631

SCHEMBL8205631

CN[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1cccs1)C(=O)N(C)NC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.50
CTSC P53634 1/20 0.46
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
F2 P00734 1/20 0.39
MME P08473 6/20 0.39
ACE P12821 4/20 0.39
OPRM1 P35372 3/20 0.38
BMP1 P13497 1/20 0.37

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
SCHEMBL3267675 0.91 GHSR (0.49) GHSRCTSCMMP9MMP8CYP3A4
SCHEMBL6317001 0.90 GHSR (0.48) GHSRCTSCMMP9MMP8CYP3A4
SCHEMBL3266917 0.89 GHSR (0.47) GHSRCTSCMMP9MMP8CYP3A4
SCHEMBL3268315 0.86 GHSR (0.45) GHSRCTSCMMP9MMP8CYP3A4
SCHEMBL8235025 0.86 GHSR (0.49) GHSRMMP9MMP8F2MME
SCHEMBL6326662 0.85 GHSR (0.45) GHSRCTSCMMP9MMP8CYP3A4
SCHEMBL8190649 0.85 GHSR (0.51) GHSRCTSCMMP9MMP8CYP3A4
SCHEMBL8222041 0.81 GHSR (0.73) GHSRCTSCMMP9MMP8CYP3A4
SCHEMBL8222037 0.81 GHSR (0.73) GHSRCTSCMMP9MMP8CYP3A4
SCHEMBL7647612 0.81 GHSR (0.61) GHSRCTSCMMP9MMP8CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047709-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 2000-11-02 EP disclosed
WO-1999036431-A9 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2000-07-27 WO disclosed
WO-1999036431-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1999-07-22 WO disclosed