SCHEMBL5773227

SCHEMBL5773227

F/C=C(\c1ccccc1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
NPC1 O15118 2/20 0.40
CYP2C9 P11712 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL5773229 1.00 HPGD (0.50) HPGDALDH1A1USP2KMT2AMEN1
SCHEMBL11482047 0.82 HPGD (0.52) HPGDALDH1A1USP2KMT2AMEN1
SCHEMBL11482052 0.82 HPGD (0.52) HPGDALDH1A1USP2KMT2AMEN1
SCHEMBL5770772 0.81 SMN1; SMN2 (0.42) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL5776074 0.80 HPGD (0.60) HPGDALDH1A1USP2KMT2AMEN1
SCHEMBL5776078 0.80 HPGD (0.60) HPGDALDH1A1USP2KMT2AMEN1
SCHEMBL11475019 0.80 HPGD (0.55) HPGDALDH1A1USP2KMT2AMEN1
SCHEMBL10573027 0.80 HPGD (0.60) HPGDALDH1A1USP2KMT2AMEN1
SCHEMBL9366034 0.78 HPGD (0.63) HPGDALDH1A1USP2KMT2AMEN1
SCHEMBL9366030 0.78 HPGD (0.63) 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