SCHEMBL5776282

SCHEMBL5776282

c1ccc(C2CC(c3ncc4nccc-4[nH]3)CC(c3ccccc3)N2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SSTR3 P32745 8/20 0.35
NPY5R Q15761 1/20 0.33
KCNH2 Q12809 2/20 0.32
BRAF P15056 1/20 0.32
TTK P33981 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
SCHEMBL5772317 0.91 HPGDS (0.32) HPGDSMEN1KMT2ASSTR3KCNH2
Hydrochloric Acid SCHEMBL5775499 0.90 HPGDS (0.32) HPGDSMEN1KMT2ASSTR3
SCHEMBL5773000 0.89 HPGDS (0.33) HPGDSMEN1KMT2ASSTR3KCNH2
SCHEMBL5771799 0.88 SSTR3 (0.32) HPGDSMEN1KMT2ASSTR3
SCHEMBL5773033 0.88 SSTR3 (0.31) HPGDSMEN1KMT2ASSTR3BRAF
SCHEMBL5772122 0.88 HPGDS (0.31) HPGDSMEN1KMT2A
Hydrochloric Acid SCHEMBL5777908 0.88 HPGDS (0.33) HPGDSMEN1KMT2ASSTR3KCNH2
SCHEMBL5775213 0.88 TTK (0.31) HPGDSMEN1KMT2ATTK
SCHEMBL5773252 0.87 HPGDS (0.34) HPGDSSSTR3NPY5RKCNH2BRAF
Hydrochloric Acid SCHEMBL5772618 0.86 SSTR3 (0.31) SSTR3

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