SCHEMBL5774099

SCHEMBL5774099

CCCCc1cc2nc(C)cc(N3CCCCC3)c2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.45
NPY5R Q15761 5/20 0.41
TLR8 Q9NR97 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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 SCHEMBL5778077 0.99 NCF1 (0.44) NCF1NPY5RTLR8PDE4APDE4B
SCHEMBL5774106 0.74 TLR8 (0.43) TLR8MEN1KMT2ADCTPP1
SCHEMBL5775503 0.71 NPY5R (0.66) NCF1NPY5RPDE4AMEN1KMT2A
Hydrochloric Acid SCHEMBL5772549 0.70 NPY5R (0.65) NCF1NPY5RPDE4AMEN1KMT2A
SCHEMBL5773493 0.69 NPY5R (0.51) NCF1NPY5RMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL5771488 0.68 NPY5R (0.50) NCF1NPY5RMEN1KMT2AKDM4E
SCHEMBL5775721 0.65 KMT2A (0.50) TLR8MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5025412 0.61 NCF1 (0.57) NCF1NPY5RMEN1KMT2ACRHBP
SCHEMBL18780956 0.61 NUDT1 (0.47) NPY5RMEN1KMT2AKDM4ECRHBP
SCHEMBL30511704 0.61 NCF1 (0.97) NCF1NPY5RMEN1KMT2AKDM4E

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 4 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
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