SCHEMBL5777500

SCHEMBL5777500

Nc1c(Cl)ccnc1C#Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.39
GRM5 P41594 9/20 0.38
KCNH2 Q12809 1/20 0.38
ADK P55263 5/20 0.35
APP P05067 1/20 0.32
SLC6A2 P23975 1/20 0.32
GRM4 Q14833 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
SCHEMBL5777807 0.83 GRM4 (0.47) RETGRM5ADKAPPGRM4
SCHEMBL30361835 0.83 GRM4 (0.47) RETGRM5ADKAPPGRM4
SCHEMBL27158606 0.76 RET (0.45) RETGRM5ADKAPP
SCHEMBL30387699 0.74 LOXL2 (0.47)
SCHEMBL25235094 0.74 LOXL2 (0.47)
SCHEMBL5775196 0.73 PGK1 (0.43) GRM5SLC6A2
SCHEMBL5772352 0.71 ADK (0.50) GRM5KCNH2ADK
SCHEMBL29912937 0.70 RET (0.40) RETGRM5KCNH2ADK
SCHEMBL27157793 0.70 RET (0.40) RETGRM5KCNH2ADK
SCHEMBL27158454 0.70 RET (0.40) RETGRM5KCNH2ADK

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-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed