SCHEMBL5776510

SCHEMBL5776510

[CH2]C1CCCCN1c1nc(C)[nH]c2cc(-c3ccccc3)nc1-2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 0.44
KMT2A Q03164 1/20 0.38
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 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
SCHEMBL5773813 0.88 NPY5R (0.58) NPY5RKMT2AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL5775998 0.86 NPY5R (0.56) NPY5RKMT2AKDM4EALDH1A1HPGD
SCHEMBL5772751 0.85 NPY5R (0.60) NPY5RKMT2AKDM4EALDH1A1HPGD
SCHEMBL5769714 0.84 NPY5R (0.53) NPY5RKMT2AHSD17B10KDM4EALDH1A1
SCHEMBL5773654 0.84 NPY5R (0.52) NPY5RKDM4EALDH1A1HPGDADORA3
Hydrochloric Acid SCHEMBL7184085 0.83 NPY5R (0.58) NPY5RKMT2AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL5776456 0.83 NPY5R (0.51) NPY5RKDM4EALDH1A1HPGDADORA3
SCHEMBL5775790 0.83 NPY5R (0.61) NPY5RKMT2ACDC7DBF4HSD17B10
SCHEMBL5771896 0.81 NPY5R (0.52) NPY5RKMT2AHSD17B10KDM4E
SCHEMBL5772713 0.81 NPY5R (0.48) NPY5RADORA3ADORA2AADORA1

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 1 patent. 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