SCHEMBL5772065

SCHEMBL5772065

Cc1nc(Cl)c2[nH]c(-c3cccc(C(F)(F)F)c3)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 17/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
STAT6 P42226 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL5774945 0.86 NPY5R (0.61) NPY5R
SCHEMBL5774435 0.86 NPY5R (0.48) NPY5RKDM4EMEN1NPC1ALDH1A1
SCHEMBL5773369 0.83 NPY5R (0.56) NPY5R
SCHEMBL5772401 0.82 NPY5R (0.70) NPY5R
SCHEMBL5772100 0.80 NPY5R (0.71) NPY5R
SCHEMBL5775210 0.78 NPY5R (0.78) NPY5R
Hydrochloric Acid SCHEMBL7190362 0.78 NPY5R (0.68) NPY5R
Hydrochloric Acid SCHEMBL5772592 0.77 NPY5R (0.76) NPY5R
SCHEMBL5772568 0.76 NPY5R (0.50) NPY5R
SCHEMBL5772070 0.76 NPY5R (0.60) NPY5R

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