SCHEMBL2665808

SCHEMBL2665808

O=C(O)CCNC(=O)c1ccc(CNCCC2=CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.62
NPC1 O15118 7/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
ALDH1A1 P00352 4/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
MAPT P10636 1/20 0.58
LMNA P02545 2/20 0.55
EPHX1 P07099 1/20 0.55
HPGD P15428 1/20 0.52
POLB P06746 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50

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
SCHEMBL2665820 0.92 RAB9A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL9071165 0.80 HDAC8 (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6569873 0.78 RAB9A (0.78) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL9441440 0.78 EPHX1 (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8167648 0.78 RAB9A (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL23023044 0.76 EPHX1 (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2648701 0.76 GCGR (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL9072937 0.75 CA1 (0.52) LMNAMAPK1
SCHEMBL31612285 0.75 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL3635519 0.75 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1

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-2004002480-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed