SCHEMBL5774083

SCHEMBL5774083

Nc1c(Cl)ccnc1C#CC1=CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
GRM5 P41594 2/20 0.48
FFAR1 O14842 1/20 0.35
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL17381731 0.70 JAK2 (0.42)
SCHEMBL30361835 0.69 GRM4 (0.47) CYP1A2GRM5NPC1
SCHEMBL5777807 0.69 GRM4 (0.47) CYP1A2GRM5NPC1
SCHEMBL5777500 0.67 RET (0.39) GRM5
SCHEMBL5772352 0.67 ADK (0.50) CYP1A2GRM5
SCHEMBL31727717 0.66 KDM4E (0.40)
SCHEMBL675463 0.66 ALK (0.41) CYP1A2GRM5FFAR1NPC1RAB9A
SCHEMBL4860119 0.64 GRM5 (0.97) CYP1A2GRM5
SCHEMBL4864468 0.64 GRM5 (0.97) CYP1A2GRM5
SCHEMBL4864474 0.64 GRM5 (0.97) CYP1A2GRM5

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