SCHEMBL5772555

SCHEMBL5772555

C=C(c1cc(OC)c(OC)c(OC)c1)N1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 3/20 0.51
MAPT P10636 1/20 0.51
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.48
DUSP3 P51452 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GFER P55789 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTPN7 P35236 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL5774957 0.81 SMN1; SMN2 (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL27535462 0.79 POLB (0.74) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
Trocimine SCHEMBL9534 0.78 POLB (0.72) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL8186423 0.77 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL7628422 0.76 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL5773765 0.74 LMNA (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
Trocimine SCHEMBL978127 0.72 POLB (0.63) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
Trocimine SCHEMBL5700765 0.72 POLB (0.63) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL10334481 0.71 POLB (0.84) ALDH1A1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL5949604 0.71 SMN1; SMN2 (0.66) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD

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 5 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
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed