SCHEMBL1401284

SCHEMBL1401284

CN[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
CHRM1 P11229 3/20 0.46
CYP3A4 P08684 1/20 0.43
UGCG Q16739 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
GHSR Q92847 2/20 0.42
FCER2 P06734 1/20 0.41
PLG P00747 2/20 0.41
F12 P00748 1/20 0.41
PLAU P00749 1/20 0.41
KLKB1 P03952 1/20 0.41
PROC P04070 1/20 0.41
HPN P05981 1/20 0.41
F10 P00742 1/20 0.41
CAPN1 P07384 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL1401593 0.89 F2 (0.50) MMP9MMP8GHSRCAPN1F2
SCHEMBL1401188 0.88 OPRD1 (0.44) MMP9MMP8GHSRPLGPLAU
SCHEMBL1401268 0.88 OPRD1 (0.48) MMP9MMP8GHSRCAPN1F2
SCHEMBL3392487 0.84 F2 (0.45) MMP9MMP8GHSRPLGF10
SCHEMBL1401582 0.83 F2 (0.48) F2
SCHEMBL6320694 0.83 MMP9 (0.56) MMP9MMP8GHSRFCER2MME
SCHEMBL24435894 0.83 FPR2 (0.47) HSD17B10CHRM1
SCHEMBL3267073 0.83 MMP9 (0.41) MMP9MMP8GHSRFCER2CAPN1
SCHEMBL1401107 0.82 TACR1 (0.42) PLAUF10F2
SCHEMBL1401110 0.82 TACR1 (0.42) PLAUF10F2

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-1100824-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2011-03-02 EP claimed