SCHEMBL5776775

SCHEMBL5776775

C=C(c1sc(C)nc1C)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE2A O00408 1/20 0.36
CNR1 P21554 2/20 0.35
HTR2C P28335 1/20 0.35
RECQL P46063 1/20 0.34
CNR2 P34972 1/20 0.34
SIGLEC9 Q9Y336 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 2/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL29944007 0.77 ALDH1A1 (0.59) ALDH1A1HPGDRAB9AHSD17B10SMN1; SMN2
SCHEMBL3454926 0.77 ALDH1A1 (0.59) ALDH1A1HPGDRAB9AHSD17B10SMN1; SMN2
SCHEMBL13273228 0.70 CASP3 (0.49) ALDH1A1HPGDRAB9AHSD17B10SMN1; SMN2
SCHEMBL21573059 0.66 RAB9A (0.38) ALDH1A1HPGDRAB9AHSD17B10SMN1; SMN2
SCHEMBL10237052 0.66 RAB9A (0.41) ALDH1A1HPGDRAB9ASMN1; SMN2CNR1
SCHEMBL13779957 0.66 HTR2C (0.55) ALDH1A1HPGDHSD17B10PDE2ACNR1
SCHEMBL423145 0.65 RAB9A (0.47) ALDH1A1HPGDRAB9ASMN1; SMN2CNR1
SCHEMBL29175074 0.64 RAB9A (0.37) ALDH1A1RAB9ASMN1; SMN2CNR1RECQL
SCHEMBL20937460 0.63 ALDH1A1 (0.38) ALDH1A1RAB9AHSD17B10SMN1; SMN2CNR1
SCHEMBL5774939 0.62 PRNP (0.44) ALDH1A1HPGDRAB9ASMN1; SMN2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed
EP-1053239-A1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-11-22 EP disclosed
WO-1999041256-A1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1999-08-19 WO disclosed