SCHEMBL5776944

SCHEMBL5776944

CC/C=C(\c1ccccc1)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.40
BLM P54132 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5776948 1.00 HPGD (0.46) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11482047 0.81 HPGD (0.52) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11482052 0.81 HPGD (0.52) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11477010 0.81 HPGD (0.44) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11475019 0.79 HPGD (0.55) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14068903 0.77 HPGD (0.49) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5776078 0.76 HPGD (0.60) HPGDALDH1A1USP2KMT2AMEN1
SCHEMBL5776074 0.76 HPGD (0.60) HPGDALDH1A1USP2KMT2AMEN1
SCHEMBL5773229 0.76 HPGD (0.50) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10573027 0.76 HPGD (0.60) HPGDALDH1A1USP2KMT2AMEN1

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