SCHEMBL5772508

SCHEMBL5772508

Cc1cnc2cnc(C3CCNC(c4ccccc4)C3)[nH]c1-2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.34
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC18A3 Q16572 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CHRNA7 P36544 1/20 0.31

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 SCHEMBL5776799 0.99 HPGDS (0.33) HPGDSCHRNB2CHRNA4SLC18A3SIGMAR1
SCHEMBL5771222 0.85 USP30 (0.38) HPGDSCHRNB2CHRNA4
SCHEMBL5776561 0.84 MEN1 (0.31)
Hydrochloric Acid SCHEMBL5775331 0.83 USP30 (0.37) HPGDS
Hydrochloric Acid SCHEMBL5775252 0.82 MEN1 (0.30)
SCHEMBL5773982 0.78 TSHR (0.30)
Hydrochloric Acid SCHEMBL5777261 0.78 HPGDS (0.39) HPGDSCHRNB2CHRNA4SLC18A3SIGMAR1
SCHEMBL5776556 0.76 KDM4E (0.33) CHRNB2CHRNA4SLC18A3SIGMAR1CHRNA7
Hydrochloric Acid SCHEMBL7178532 0.74 KDM4E (0.32)
SCHEMBL5774859 0.73

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