SCHEMBL8906136

SCHEMBL8906136

CNC(=O)[C@H](Cc1ccccc1)C(Cc1csc2ccccc12)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
F10 P00742 2/20 0.41
TACR1 P25103 1/20 0.41
PYGL P06737 1/20 0.41
CYP2A6 P11509 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
JUN P05412 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
SCHEMBL8906233 0.87 MMP2 (0.46) MMP2MMP9MMP8TP53SMN1; SMN2
SCHEMBL5557511 0.78 MMP2 (0.54) MMP2MMP9MMP8TP53SMN1; SMN2
SCHEMBL8906144 0.78 ALOX5 (0.43) MMP2MMP9MMP8MAPTF10
SCHEMBL6317894 0.76 MMP2 (0.48) MMP2MMP9MMP8TP53SMN1; SMN2
SCHEMBL6319054 0.76 MMP2 (0.48) MMP2MMP9MMP8TP53SMN1; SMN2
SCHEMBL6851850 0.76 FCER2 (0.61) MMP2MMP9MMP8PYGL
Hydrochloric Acid SCHEMBL5558399 0.74 F10 (0.49) MMP2MMP9MMP8CTSLCTSS
Hydrochloric Acid SCHEMBL5557656 0.74 F10 (0.49) MMP2MMP9MMP8CTSLCTSS
SCHEMBL6319686 0.74 MMP2 (0.44) MMP2MMP9MMP8TP53SMN1; SMN2
SCHEMBL8906141 0.73 MMP8 (0.55) MMP2MMP9MMP8TP53CTSL

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
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO disclosed