SCHEMBL5777830

SCHEMBL5777830

Cc1nc(C2CCNCC2)c2nc(C)c(Oc3ccccc3)c-2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.43
SLC6A4 P31645 7/20 0.43
SLC6A3 Q01959 6/20 0.43
HTR1A P08908 6/20 0.43
TNK2 Q07912 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2C P28335 4/20 0.34
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KHK P50053 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
BTK Q06187 1/20 0.32
JUND P17535 1/20 0.32

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
SCHEMBL5776632 0.78 GABRA1 (0.42) HRH1SLC18A3SIGMAR1KHKGABRA1
Hydrochloric Acid SCHEMBL5807137 0.75 KDM4E (0.43) HTR2CSLC18A3SIGMAR1KDM4EHPGD
SCHEMBL5774480 0.74 KDM4E (0.44) HTR2CSLC18A3SIGMAR1KDM4EHPGD
Hydrochloric Acid SCHEMBL5775248 0.74 KDM4E (0.44) POLBHTR2CSLC18A3SIGMAR1KDM4E
Hydrochloric Acid SCHEMBL5773701 0.73 KDM4E (0.47) HTR2CSLC18A3SIGMAR1KDM4EHPGD
Hydrochloric Acid SCHEMBL5776951 0.73 KDM4E (0.43) HTR2CSLC18A3SIGMAR1KDM4EHPGD
SCHEMBL5776541 0.71 MAPK14 (0.45) HTR2C
SCHEMBL8125046 0.70 MEN1 (0.44) HTR2CGABRA1JUNDFOSB
SCHEMBL5774851 0.67 MAPK14 (0.48) HTR2CGABRA1
SCHEMBL5775115 0.67 USP7 (0.41) KDM4EHPGDSMN1; SMN2GABRA1

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