SCHEMBL5778062

SCHEMBL5778062

c1cnc(-c2cc3ncnc(N4CCCCC4)c3[nH]2)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.69
HTT P42858 5/20 0.41
LMNA P02545 4/20 0.41
ALOX15 P16050 1/20 0.41
AKT2 P31751 1/20 0.41
MAP3K5 Q99683 1/20 0.41
LRRK2 Q5S007 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
S1PR2 O95136 1/20 0.39
MAPT P10636 1/20 0.39

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
Hydrochloric Acid SCHEMBL5771846 0.98 NPY5R (0.67) NPY5RHTTLMNAALOX15AKT2
SCHEMBL5775524 0.82 NPY5R (0.71) NPY5RHTTLMNASMN1; SMN2KDM4E
SCHEMBL5774702 0.82 NPY5R (1.00) NPY5R
Hydrochloric Acid SCHEMBL5775692 0.81 NPY5R (0.68) NPY5RHTTLMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7185056 0.80 NPY5R (0.96) NPY5R
Hydrochloric Acid SCHEMBL5777256 0.74 NPY5R (0.97) NPY5R
SCHEMBL5772467 0.72 NPY5R (0.68) NPY5RHTTLMNASMN1; SMN2KDM4E
SCHEMBL5773640 0.72 NPY5R (0.68) NPY5RHTTLMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5777414 0.71 NPY5R (0.67) NPY5RHTTLMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5773672 0.71 NPY5R (0.67) NPY5RHTTLMNASMN1; SMN2KDM4E

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-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