SCHEMBL5772277

SCHEMBL5772277

Cc1nc(N2CCOCC2)c2nc(-c3ccc(F)c(F)c3)cc-2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.41
TGFBR1 P36897 1/20 0.39
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRIA1 P42261 1/20 0.38
JAK2 O60674 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MTOR P42345 1/20 0.37
LRRK2 Q5S007 2/20 0.37
XDH P47989 1/20 0.37
MAPT P10636 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AKT1 P31749 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CSF1R P07333 1/20 0.36
AHR P35869 1/20 0.36

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 SCHEMBL5775646 0.99 NPY5R (0.40) NPY5RTGFBR1MAPK14KDM4ELMNA
SCHEMBL5773980 0.84 NPY5R (0.55) NPY5RKDM4ELMNAL3MBTL1TDP1
SCHEMBL5775710 0.77 ALDH1A1 (0.46) NPY5RKDM4EL3MBTL1KMT2AMAPT
SCHEMBL5772274 0.73 NPY5R (0.72) NPY5R
SCHEMBL5773685 0.73 NPY5R (0.40) NPY5RKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL5772625 0.73 MELK (0.45) NPY5RKDM4ELMNAMAPTALDH1A1
SCHEMBL5773349 0.72 NPY5R (0.52) NPY5RKDM4EL3MBTL1KMT2A
SCHEMBL5771896 0.72 NPY5R (0.52) NPY5RKDM4EL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL5775650 0.72 NPY5R (0.71) NPY5R
SCHEMBL5773681 0.72 NPY5R (0.54) NPY5RKDM4EL3MBTL1KMT2A

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 claimed
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 claimed
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