SCHEMBL3976955

SCHEMBL3976955

O=C1OC2(CCNC2)c2ccnc(C(=O)C3(c4nc5ccccc5s4)CC3)c21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.35
NPC1 O15118 2/20 0.31
LMNA P02545 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
CASR P41180 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL3975109 0.85 NPY5R (0.32) NPY5RALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL3970810 0.78 AKT1 (0.32) ALDH1A1
SCHEMBL3971304 0.77 ALOX5AP (0.42)
SCHEMBL2973860 0.77 HSD11B1 (0.31)
SCHEMBL3970455 0.77 ELOVL1 (0.35) NPY5RNPC1LMNARAB9ASMN1; SMN2
SCHEMBL3907137 0.76 PDE2A (0.32) NPC1RAB9A
SCHEMBL3977568 0.75 HSD11B1 (0.33) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3973792 0.75 HDAC4 (0.36) NPY5R
SCHEMBL3970704 0.74 HSD11B1 (0.33) NPY5RNPC1RAB9AMAPT
SCHEMBL3972108 0.74 HSD11B1 (0.33) ALDH1A1

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-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP claimed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP claimed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO claimed