SCHEMBL5771652

SCHEMBL5771652

Cc1nc(N2CCC(N(C)C)CC2)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.47
BTK Q06187 2/20 0.47
MRGPRX2 Q96LB1 2/20 0.47
MAPK10 P53779 1/20 0.47
HTR1D P28221 2/20 0.45
HTR3A P46098 2/20 0.45
HTR6 P50406 2/20 0.45
TMEM97 Q5BJF2 2/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR1B P28222 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ADRA1B P35368 1/20 0.45
NPY5R Q15761 8/20 0.42
KIT P10721 3/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7961165 0.86 NPY5R (0.56) NPY5RKITHPGD
SCHEMBL8126501 0.86 NPY5R (0.46) NPY5RKITHPGD
SCHEMBL5773349 0.85 NPY5R (0.52) NPY5R
SCHEMBL5771896 0.85 NPY5R (0.52) NPY5R
Hydrochloric Acid SCHEMBL5773755 0.84 NPY5R (0.54) NPY5RKITHPGD
SCHEMBL5773681 0.83 NPY5R (0.54) NPY5RHPGD
Hydrochloric Acid SCHEMBL5776807 0.82 NPY5R (0.50) NPY5R
Hydrochloric Acid SCHEMBL5777287 0.82 NPY5R (0.50) NPY5R
SCHEMBL5772625 0.82 MELK (0.45) NPY5RHPGD
SCHEMBL5774815 0.82 NPY5R (0.54) HTR6NPY5RHPGD

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 claimed
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 claimed
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